diff --git "a/mlip_arena/tasks/diatomics/ani/homonuclear-diatomics.json" "b/mlip_arena/tasks/diatomics/ani/homonuclear-diatomics.json"
new file mode 100644--- /dev/null
+++ "b/mlip_arena/tasks/diatomics/ani/homonuclear-diatomics.json"
@@ -0,0 +1 @@
+[{"name":"HH","method":"ANI2x","R":[3.72,3.70996794,3.69993586,3.6899038,3.67987172,3.66983966,3.65980758,3.64977552,3.63974344,3.62971138,3.6196793,3.60964724,3.59961516,3.5895831,3.57955102,3.56951896,3.55948688,3.54945482,3.53942274,3.52939068,3.5193586,3.50932654,3.49929446,3.4892624,3.47923032,3.46919826,3.45916618,3.44913412,3.43910204,3.42906998,3.4190379,3.40900584,3.39897376,3.3889417,3.37890962,3.36887756,3.35884548,3.34881342,3.33878134,3.32874928,3.3187172,3.30868514,3.29865306,3.288621,3.27858892,3.26855686,3.25852478,3.24849272,3.23846064,3.22842858,3.2183965,3.20836444,3.19833236,3.1883003,3.17826822,3.16823616,3.15820408,3.14817202,3.13813994,3.12810788,3.1180758,3.10804374,3.09801166,3.0879796,3.07794752,3.06791546,3.05788338,3.04785132,3.03781924,3.02778718,3.0177551,3.00772304,2.99769096,2.9876589,2.97762682,2.96759476,2.95756268,2.94753062,2.93749854,2.92746648,2.9174344,2.90740234,2.89737026,2.8873382,2.87730612,2.86727406,2.85724198,2.84720992,2.83717784,2.82714578,2.8171137,2.80708164,2.79704956,2.7870175,2.77698542,2.76695336,2.75692128,2.74688922,2.73685714,2.72682508,2.716793,2.70676094,2.69672886,2.6866968,2.67666472,2.66663266,2.65660058,2.64656852,2.63653644,2.62650438,2.6164723,2.60644024,2.59640816,2.5863761,2.57634402,2.56631196,2.55627988,2.54624782,2.53621574,2.52618368,2.5161516,2.50611954,2.49608746,2.4860554,2.47602332,2.46599126,2.45595918,2.44592712,2.43589504,2.42586298,2.4158309,2.40579884,2.39576676,2.3857347,2.37570262,2.36567056,2.35563848,2.34560642,2.33557434,2.32554228,2.3155102,2.30547814,2.29544606,2.285414,2.27538192,2.26534986,2.25531778,2.24528572,2.23525364,2.22522158,2.2151895,2.20515744,2.19512536,2.1850933,2.17506122,2.16502916,2.15499708,2.14496502,2.13493294,2.12490088,2.1148688,2.10483674,2.09480466,2.0847726,2.07474052,2.06470846,2.05467638,2.04464432,2.03461224,2.02458018,2.0145481,2.00451604,1.99448396,1.9844519,1.97441982,1.96438776,1.95435568,1.94432362,1.93429154,1.92425948,1.9142274,1.90419534,1.89416326,1.8841312,1.87409912,1.86406706,1.85403498,1.84400292,1.83397084,1.82393878,1.8139067,1.80387464,1.79384256,1.7838105,1.77377842,1.76374636,1.75371428,1.74368222,1.73365014,1.72361808,1.713586,1.70355394,1.69352186,1.6834898,1.67345772,1.66342566,1.65339358,1.64336152,1.63332944,1.62329738,1.6132653,1.60323324,1.59320116,1.5831691,1.57313702,1.56310496,1.55307288,1.54304082,1.53300874,1.52297668,1.5129446,1.50291254,1.49288046,1.4828484,1.47281632,1.46278426,1.45275218,1.44272012,1.43268804,1.42265598,1.4126239,1.40259184,1.39255976,1.3825277,1.37249562,1.36246356,1.35243148,1.34239942,1.33236734,1.32233528,1.3123032,1.30227114,1.29223906,1.282207,1.27217492,1.26214286,1.25211078,1.24207872,1.23204664,1.22201458,1.2119825,1.20195044,1.19191836,1.1818863,1.17185422,1.16182216,1.15179008,1.14175802,1.13172594,1.12169388,1.1116618,1.10162974,1.09159766,1.0815656,1.07153352,1.06150146,1.05146938,1.04143732,1.03140524,1.02137318,1.0113411,1.00130904,0.99127696,0.9812449,0.97121282,0.96118076,0.95114868,0.94111662,0.93108454,0.92105248,0.9110204,0.90098834,0.89095626,0.8809242,0.87089212,0.86086006,0.85082798,0.84079592,0.83076384,0.82073178,0.8106997,0.80066764,0.79063556,0.7806035,0.77057142,0.76053936,0.75050728,0.74047522,0.73044314,0.72041108,0.710379,0.70034694,0.69031486,0.6802828,0.67025072,0.66021866,0.65018658,0.64015452,0.63012244,0.62009038,0.6100583,0.60002624,0.58999416,0.5799621,0.56993002,0.55989796,0.54986588,0.53983382,0.52980174,0.51976968,0.5097376,0.49970554,0.48967346,0.4796414,0.46960932,0.45957726,0.44954518,0.43951312,0.42948104,0.41944898,0.4094169,0.39938484,0.38935276,0.3793207,0.36928862,0.35925656,0.34922448,0.33919242,0.32916034,0.31912828,0.3090962,0.29906414,0.28903206,0.279],"E":[-22.5753199539,-22.5749217713,-22.5737345222,-22.571750097,-22.5689693066,-22.565392962,-22.5610153864,-22.5558479334,-22.5498962796,-22.5431758333,-22.5357109235,-22.5275331777,-22.518681522,-22.5092029923,-22.4991608437,-22.4886158983,-22.4776443867,-22.4663176735,-22.454716044,-22.4429181615,-22.4309937689,-22.4190158528,-22.4070484792,-22.3951435498,-22.3833505331,-22.3716986239,-22.3602226936,-22.3489267969,-22.3378255313,-22.3269156528,-22.3161874299,-22.305632753,-22.2952483782,-22.2850221411,-22.2749556636,-22.2650554334,-22.2553392917,-22.2458307564,-22.2365736195,-22.2276157277,-22.2190203362,-22.2108677302,-22.2032446827,-22.1962460763,-22.1899659827,-22.184509827,-22.1799757357,-22.1764683229,-22.1740808493,-22.1728952221,-22.1729909157,-22.1744157768,-22.1772168413,-22.1814151941,-22.187019756,-22.1940175514,-22.2023826295,-22.2120663327,-22.2230094607,-22.235134161,-22.2483674471,-22.262620924,-22.2778070077,-22.2938373034,-22.310627471,-22.328099658,-22.3461816889,-22.3648143633,-22.383957944,-22.4035848584,-22.4236813201,-22.4442473291,-22.465290184,-22.4868317808,-22.5088996924,-22.5315223022,-22.554752323,-22.578626248,-22.6031805706,-22.6284582717,-22.6545015213,-22.681345191,-22.7090200973,-22.737548947,-22.7669609349,-22.7972601158,-22.828223475,-22.8597755929,-22.8919318779,-22.9247036835,-22.9581307467,-22.9922446952,-23.0271031072,-23.0627578845,-23.0992820135,-23.1367387494,-23.1752083775,-23.2147841584,-23.2555682734,-23.2976645258,-23.3411759077,-23.3860342983,-23.4320864257,-23.4794117643,-23.5280914102,-23.5781878076,-23.6297512362,-23.6828279208,-23.7374494889,-23.7936102639,-23.8512842949,-23.9104326557,-23.9709864145,-24.0328442011,-24.0958811271,-24.1599690605,-24.2249352663,-24.2906694535,-24.3570556547,-24.4239876336,-24.4913591541,-24.5590810105,-24.6270575091,-24.6951232135,-24.7631629672,-24.8311313561,-24.8990259475,-24.9668402536,-25.0345345372,-25.1019466059,-25.1688331709,-25.2351699033,-25.3010541186,-25.3666293573,-25.4320399705,-25.4973946273,-25.5628684956,-25.6286294447,-25.694686395,-25.7611613965,-25.8281582524,-25.8957653576,-25.9640455616,-26.033086043,-26.1029626267,-26.1737349185,-26.2454475213,-26.3181280079,-26.3917500219,-26.466311536,-26.5417943035,-26.6182161655,-26.6956006401,-26.7739521874,-26.8533291968,-26.9337186928,-27.014939831,-27.0970043701,-27.1799917845,-27.2639762773,-27.3489229772,-27.4346830724,-27.5211649242,-27.6082991954,-27.696041283,-27.7843457731,-27.8731554928,-27.9623674499,-28.0516998349,-28.1409182797,-28.2298938412,-28.3183467374,-28.4059752902,-28.4923606375,-28.5771329804,-28.6599091392,-28.7402694406,-28.8178489516,-28.8922300265,-28.9629828552,-29.0296630302,-29.0919039966,-29.149357243,-29.2018202317,-29.2491780088,-29.2914238837,-29.3286359117,-29.3610719787,-29.3889842943,-29.4126710897,-29.4324944597,-29.4488134581,-29.4621099992,-29.4730379216,-29.4821525319,-29.4897942315,-29.496294096,-29.5019294744,-29.5069361541,-29.5114607166,-29.5155720937,-29.5193384063,-29.5227890518,-29.5259280849,-29.5287877414,-29.5314306682,-29.5339791178,-29.5365036441,-29.5391552887,-29.542003389,-29.5451373536,-29.548706805,-29.5528238589,-29.55756211,-29.5630580029,-29.5693610062,-29.5765250489,-29.5845616872,-29.5933255562,-29.6024501008,-29.6117196049,-29.6208794263,-29.6304956169,-29.6414762519,-29.6532666329,-29.6651912282,-29.6763109433,-29.6849963516,-29.6894317083,-29.6877639639,-29.6786394193,-29.6607325564,-29.6329041755,-29.5946885814,-29.5461960651,-29.4877047867,-29.4199930673,-29.3442605234,-29.2620394685,-29.1757368394,-29.0883625233,-29.0020436749,-28.918461825,-28.8393560825,-28.7657296082,-28.698123314,-28.6396561617,-28.5914051095,-28.553053071,-28.5237992207,-28.5027146013,-28.4887984848,-28.4811730044,-28.4795960878,-28.4833257043,-28.4934282697,-28.5101839713,-28.5327469755,-28.5599580112,-28.5910632888,-28.6255733924,-28.6629989063,-28.7030855936,-28.7457247853,-28.7913645383,-28.839638703,-28.8900148824,-28.9432063182,-28.9992855915,-29.0578050509,-29.1198740931,-29.1866929428,-29.2587765609,-29.3366401115,-29.4210892859,-29.5111590386,-29.6059536615,-29.7053346829,-29.8070853366,-29.9095115222,-30.0116885395,-30.1125023288,-30.2108844471,-30.305973044,-30.3966362185,-30.4806659225,-30.5560817855,-30.6213014171,-30.6750471458,-30.7164054222,-30.7444004559,-30.7583033943,-30.7576457037,-30.7421859201,-30.7117675277,-30.6662514465,-30.6058493376,-30.5310169621,-30.4428041108,-30.3423059886,-30.2303090264,-30.1078255081,-29.976283336,-29.8374526384,-29.6931826126,-29.5453717217,-29.395568296,-29.2459982248,-29.0989435565,-28.9546603526,-28.8135090858,-28.6780471264,-28.5492553336,-28.4294992849,-28.3220941951,-28.2270899384,-28.1432149255,-28.0695349276,-28.0053204841,-27.9487144907,-27.8983829142,-27.8532747471,-27.8127051316,-27.7764632176,-27.7444103303,-27.7163980636,-27.6924852124,-27.6729369614,-27.6585711662,-27.6495686715,-27.645688216,-27.6465648664,-27.6516345985,-27.6602462093,-27.6716888901,-27.685326441,-27.7004387271,-27.7163177784,-27.7323350987,-27.7479493706,-27.7627867405,-27.7765362042,-27.7890059691,-27.8001153443],"F":[0.00000167,0.0789969,0.15811884,0.23742032,0.31689984,0.39642161,0.47571623,0.5543943,0.63188511,0.70746911,0.78031552,0.84957927,0.91440165,0.97388124,1.02721834,1.07361913,1.11260033,1.1439805,1.16758084,1.18360329,1.19236875,1.19439626,1.19062614,1.18178916,1.16897094,1.15306401,1.13512015,1.11619103,1.09710252,1.078372,1.06052327,1.04346657,1.02721369,1.0114243,0.9952628,0.97801632,0.95869505,0.93598616,0.90880531,0.87600321,0.83609027,0.78793514,0.73026711,0.66342783,0.58668637,0.49967307,0.40237403,0.29537064,0.17936468,0.05535811,-0.07488638,-0.21014911,-0.34861374,-0.48858416,-0.62834036,-0.76636159,-0.90058708,-1.02921283,-1.15088844,-1.26515841,-1.37135768,-1.46870899,-1.55739856,-1.63707626,-1.70877874,-1.7732805,-1.83079422,-1.88318193,-1.93265128,-1.97998714,-2.02659154,-2.07345533,-2.1220541,-2.17288923,-2.22685194,-2.28465557,-2.3469162,-2.41285276,-2.48313904,-2.55731654,-2.63529205,-2.71653891,-2.80072117,-2.88762093,-2.9763813,-3.05715775,-3.11558056,-3.1750648,-3.23576546,-3.29870462,-3.36546278,-3.43638897,-3.51355147,-3.59627604,-3.68603969,-3.78263783,-3.8882308,-4.00356674,-4.12898827,-4.26521683,-4.41000509,-4.5301981,-4.65274,-4.78368568,-4.92163277,-5.06596088,-5.21487522,-5.3675971,-5.52146482,-5.67412472,-5.82325363,-5.96729183,-6.10333633,-6.22677565,-6.33811474,-6.43454027,-6.51626062,-6.58643055,-6.64627743,-6.69532681,-6.73476124,-6.76491737,-6.78357935,-6.78418541,-6.77940464,-6.77197933,-6.76323318,-6.75544691,-6.73486614,-6.69872427,-6.6383872,-6.58762884,-6.54955864,-6.52652264,-6.51486635,-6.51739597,-6.53774023,-6.57078123,-6.6033411,-6.65078068,-6.7071414,-6.77119446,-6.84322453,-6.92266417,-7.00892019,-7.10068989,-7.19608593,-7.2927599,-7.38615561,-7.47726727,-7.57068157,-7.66554737,-7.76179218,-7.86055231,-7.96340561,-8.05602551,-8.1371851,-8.22502041,-8.32138729,-8.4210062,-8.51202583,-8.58559227,-8.65459919,-8.71599102,-8.77473164,-8.82858849,-8.87590694,-8.9042263,-8.90146542,-8.88455486,-8.84806633,-8.78244114,-8.67812538,-8.53710365,-8.35715008,-8.13767815,-7.87805796,-7.58105183,-7.24002361,-6.8576479,-6.43116283,-5.97025394,-5.48032618,-4.97596216,-4.46540833,-3.95790434,-3.46708536,-3.00327826,-2.56565285,-2.16325283,-1.79494071,-1.46626377,-1.19330239,-0.99294281,-0.82962185,-0.69934767,-0.60069722,-0.5270108,-0.47377461,-0.42909575,-0.39142418,-0.35984933,-0.32737476,-0.30026215,-0.27154917,-0.25758642,-0.25039995,-0.25804991,-0.27202913,-0.2963421,-0.33114141,-0.38248053,-0.43879509,-0.5088439,-0.58807284,-0.66775042,-0.76052278,-0.84090334,-0.89645439,-0.91762972,-0.92486084,-0.89749503,-1.0354135,-1.14519286,-1.19350648,-1.16867709,-1.02400267,-0.67820817,-0.16689414,0.5179258,1.32432127,2.26306581,3.29178286,4.32415867,5.34020519,6.30760241,7.17220354,7.90014505,8.45359612,8.69884968,8.68486977,8.49706936,8.13157368,7.62179375,7.05340004,6.3370142,5.31632376,4.29766417,3.35634327,2.49294019,1.72387183,1.06587064,0.44782299,-0.11840237,-0.64492291,-1.35152829,-1.97502255,-2.49649596,-2.9170258,-3.27817607,-3.59257102,-3.86533856,-4.12170458,-4.38669729,-4.71531248,-4.90624094,-5.1469388,-5.47661066,-5.6974721,-5.98793745,-6.4054141,-6.91821003,-7.46582317,-8.06827164,-8.73692608,-9.2156601,-9.68935299,-10.06784821,-10.19199562,-10.21116734,-10.13853168,-9.94283962,-9.65690613,-9.27978802,-8.76391411,-7.96630955,-7.03436279,-5.94608927,-4.75297356,-3.47092772,-2.09952068,-0.66515529,0.80069619,2.28313923,3.78474522,5.28535175,6.74989128,8.14927101,9.41871834,10.60173702,11.70829868,12.68153,13.51442337,14.13406086,14.59144974,14.85870075,14.97586536,14.79549313,14.5185461,14.24366474,13.82493496,13.17713928,12.49269581,11.34526443,10.06991196,8.88850498,7.84191036,6.8464179,5.99285698,5.30597925,4.75185871,4.25609016,3.83348131,3.39902925,2.99306202,2.59097743,2.17296004,1.70405269,1.16120982,0.6374836,0.14136246,-0.30629587,-0.69362599,-1.0108285,-1.26148105,-1.44455481,-1.55548835,-1.60000169,-1.5838443,-1.52376795,-1.42886686,-1.30902255,-1.17581141,-1.03872919],"S^2":[],"force-flip-times":5,"force-total-variation":92.6098652,"force-jump":1.05355968,"energy-diff-flip-times":5,"energy-grad-norm-max":14.9208237408,"energy-jump":0.052333032,"energy-total-variation":14.6745464515,"tortuosity":1.3171457296,"conservation-deviation":0.007667452,"spearman-descending-force":-0.0769230769,"spearman-ascending-force":0.2155217761,"spearman-repulsion-energy":-0.9098532495,"spearman-attraction-energy":0.9150889461,"pbe-energy-mae":null,"pbe-force-mae":null},{"name":"CC","method":"ANI2x","R":[5.487,5.47697286,5.46694572,5.45691858,5.44689144,5.4368643,5.42683716,5.41681002,5.40678288,5.39675574,5.3867286,5.37670146,5.36667432,5.35664718,5.34662004,5.3365929,5.32656576,5.31653862,5.30651148,5.29648434,5.2864572,5.27643006,5.26640292,5.25637578,5.24634864,5.2363215,5.22629436,5.21626722,5.20624008,5.19621294,5.1861858,5.17615866,5.16613152,5.15610438,5.14607724,5.1360501,5.12602296,5.11599582,5.10596868,5.09594154,5.0859144,5.07588726,5.06586012,5.05583298,5.04580584,5.0357787,5.02575156,5.01572442,5.00569728,4.99567014,4.985643,4.97561586,4.96558872,4.95556158,4.94553444,4.9355073,4.92548016,4.91545302,4.90542588,4.89539874,4.8853716,4.87534446,4.86531732,4.85529018,4.84526304,4.8352359,4.82520876,4.81518162,4.80515448,4.79512734,4.7851002,4.77507306,4.76504592,4.75501878,4.74499164,4.7349645,4.72493736,4.71491022,4.70488308,4.69485594,4.68482882,4.67480168,4.66477454,4.6547474,4.64472026,4.63469312,4.62466598,4.61463884,4.6046117,4.59458456,4.58455742,4.57453028,4.56450314,4.554476,4.54444886,4.53442172,4.52439458,4.51436744,4.5043403,4.49431316,4.48428602,4.47425888,4.46423174,4.4542046,4.44417746,4.43415032,4.42412318,4.41409604,4.4040689,4.39404176,4.38401462,4.37398748,4.36396034,4.3539332,4.34390606,4.33387892,4.32385178,4.31382464,4.3037975,4.29377036,4.28374322,4.27371608,4.26368894,4.2536618,4.24363466,4.23360752,4.22358038,4.21355324,4.2035261,4.19349896,4.18347182,4.17344468,4.16341754,4.1533904,4.14336326,4.13333612,4.12330898,4.11328184,4.1032547,4.09322756,4.08320042,4.07317328,4.06314614,4.053119,4.04309186,4.03306472,4.02303758,4.01301044,4.0029833,3.99295616,3.98292902,3.97290188,3.96287474,3.9528476,3.94282046,3.93279332,3.92276618,3.91273904,3.9027119,3.89268476,3.88265762,3.87263048,3.86260334,3.8525762,3.84254906,3.83252192,3.82249478,3.81246764,3.8024405,3.79241336,3.78238622,3.77235908,3.76233194,3.7523048,3.74227766,3.73225052,3.72222338,3.71219624,3.7021691,3.69214196,3.68211482,3.67208768,3.66206054,3.6520334,3.64200626,3.63197912,3.62195198,3.61192484,3.6018977,3.59187056,3.58184342,3.57181628,3.56178914,3.551762,3.54173486,3.53170772,3.52168058,3.51165344,3.5016263,3.49159916,3.48157202,3.47154488,3.46151774,3.4514906,3.44146346,3.43143632,3.42140918,3.41138204,3.4013549,3.39132776,3.38130062,3.37127348,3.36124634,3.3512192,3.34119206,3.33116492,3.32113778,3.31111064,3.3010835,3.29105636,3.28102922,3.27100208,3.26097494,3.2509478,3.24092066,3.23089352,3.22086638,3.21083924,3.2008121,3.19078496,3.18075782,3.17073068,3.16070354,3.1506764,3.14064926,3.13062212,3.12059498,3.11056784,3.1005407,3.09051356,3.08048644,3.0704593,3.06043216,3.05040502,3.04037788,3.03035074,3.0203236,3.01029646,3.00026932,2.99024218,2.98021504,2.9701879,2.96016076,2.95013362,2.94010648,2.93007934,2.9200522,2.91002506,2.89999792,2.88997078,2.87994364,2.8699165,2.85988936,2.84986222,2.83983508,2.82980794,2.8197808,2.80975366,2.79972652,2.78969938,2.77967224,2.7696451,2.75961796,2.74959082,2.73956368,2.72953654,2.7195094,2.70948226,2.69945512,2.68942798,2.67940084,2.6693737,2.65934656,2.64931942,2.63929228,2.62926514,2.619238,2.60921086,2.59918372,2.58915658,2.57912944,2.5691023,2.55907516,2.54904802,2.53902088,2.52899374,2.5189666,2.50893946,2.49891232,2.48888518,2.47885804,2.4688309,2.45880376,2.44877662,2.43874948,2.42872234,2.4186952,2.40866806,2.39864092,2.38861378,2.37858664,2.3685595,2.35853236,2.34850522,2.33847808,2.32845094,2.3184238,2.30839666,2.29836952,2.28834238,2.27831524,2.2682881,2.25826096,2.24823382,2.23820668,2.22817954,2.2181524,2.20812526,2.19809812,2.18807098,2.17804384,2.1680167,2.15798956,2.14796242,2.13793528,2.12790814,2.117881,2.10785386,2.09782672,2.08779958,2.07777244,2.0677453,2.05771816,2.04769102,2.03766388,2.02763674,2.0176096,2.00758246,1.99755532,1.98752818,1.97750104,1.9674739,1.95744676,1.94741962,1.93739248,1.92736534,1.9173382,1.90731106,1.89728392,1.88725678,1.87722964,1.8672025,1.85717536,1.84714822,1.83712108,1.82709394,1.8170668,1.80703966,1.79701252,1.78698538,1.77695824,1.7669311,1.75690396,1.74687682,1.73684968,1.72682254,1.7167954,1.70676826,1.69674112,1.68671398,1.67668684,1.6666597,1.65663256,1.64660542,1.63657828,1.62655114,1.616524,1.60649686,1.59646972,1.58644258,1.57641544,1.5663883,1.55636116,1.54633402,1.53630688,1.52627974,1.5162526,1.50622546,1.49619832,1.48617118,1.47614406,1.46611692,1.45608978,1.44606264,1.4360355,1.42600836,1.41598122,1.40595408,1.39592694,1.3858998,1.37587266,1.36584552,1.35581838,1.34579124,1.3357641,1.32573696,1.31570982,1.30568268,1.29565554,1.2856284,1.27560126,1.26557412,1.25554698,1.24551984,1.2354927,1.22546556,1.21543842,1.20541128,1.19538414,1.185357,1.17532986,1.16530272,1.15527558,1.14524844,1.1352213,1.12519416,1.11516702,1.10513988,1.09511274,1.0850856,1.07505846,1.06503132,1.05500418,1.04497704,1.0349499,1.02492276,1.01489562,1.00486848,0.99484134,0.9848142,0.97478706,0.96475992,0.95473278,0.94470564,0.9346785,0.92465136,0.91462422,0.90459708,0.89456994,0.8845428,0.87451566,0.86448852,0.85446138,0.84443424,0.8344071,0.82437996,0.81435282,0.80432568,0.79429854,0.7842714,0.77424426,0.76421712,0.75418998,0.74416284,0.7341357,0.72410856,0.71408142,0.70405428,0.69402714,0.684],"E":[-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4814053431,-2073.4813020468,-2073.4800171781,-2073.4769086068,-2073.4714634498,-2073.4631046059,-2073.4511845215,-2073.4349695798,-2073.4136274797,-2073.386236309,-2073.3517199203,-2073.3088824229,-2073.2563136036,-2073.1924107217,-2073.1153331078,-2073.023485814,-2072.9165683914,-2072.7933541706,-2072.6519680034,-2072.4903914804,-2072.3093496778,-2072.1117261251,-2071.8995627244,-2071.6736133666,-2071.4345943345,-2071.1833366618,-2070.920962518,-2070.6484740498,-2070.3671420356,-2070.0782023822,-2069.7828597744,-2069.4824660867,-2069.1782030941,-2068.8713044734,-2068.5628411006,-2068.2538680378,-2067.945403854,-2067.6383316874,-2067.3334515524,-2067.0315590032,-2066.7333461963,-2066.439470417,-2066.1506327421,-2065.8674624786,-2065.5906671914,-2065.3209045709,-2065.0590585664,-2064.805903647,-2064.5624202663,-2064.3295921219,-2064.1084864404,-2063.9002807394,-2063.7061436158,-2063.5272655626,-2063.3648711332,-2063.2201337902,-2063.094130492,-2062.9878668319,-2062.9022121618,-2062.8378679642,-2062.7953208167,-2062.7748813179,-2062.7765778515,-2062.8002393043,-2062.8454050497,-2062.9113703613,-2062.9972131747,-2063.1017600272,-2063.2236063317,-2063.3611690894,-2063.5127412243,-2063.6763715606,-2063.8501259527,-2064.0320361947,-2064.2201121845,-2064.412261639,-2064.6065455468,-2064.8011562725,-2064.9943640331,-2065.1846304326,-2065.370533043,-2065.5507572939,-2065.7241783805,-2065.8898839698,-2066.0470841844,-2066.1951245777,-2066.3335514159,-2066.4620099032,-2066.5803212221,-2066.6885295703,-2066.7868360663,-2066.8755513089,-2066.9550483407,-2067.0258084681,-2067.0883462467,-2067.1432135365,-2067.1910441047,-2067.2325410557,-2067.2684748041,-2067.2996392819,-2067.3268559944,-2067.3509346874,-2067.3727398471,-2067.3931100086,-2067.4128930333,-2067.4329740867,-2067.4541973808,-2067.477298864,-2067.5029925888,-2067.5318952923,-2067.5645523466,-2067.6014284334,-2067.6428369896,-2067.6890265751,-2067.7400997769,-2067.7960943045,-2067.8570056978,-2067.922677441,-2067.9929132811,-2068.0674528992,-2068.1459840747,-2068.2281739075,-2068.3135654203,-2068.4016975808,-2068.4920813787,-2068.5838417855,-2068.6752044151,-2068.7654653522,-2068.8543752258,-2068.9417377829,-2069.0274151599,-2069.1113092304,-2069.1933125419,-2069.2733192637,-2069.3513269629,-2069.4274402537,-2069.5017653722,-2069.5743696283,-2069.6453118167,-2069.7146624913,-2069.7825282935,-2069.8489388235,-2069.9139269252,-2069.9775595032,-2070.0398268258,-2070.1007915399,-2070.1605298759,-2070.2191213082,-2070.2766866703,-2070.3333305761,-2070.389132703,-2070.4441605633,-2070.4984877521,-2070.5522618644,-2070.6054267412,-2070.6580438128,-2070.7102288441,-2070.7619238513,-2070.8134045617,-2070.8648718912,-2070.9165814958,-2070.9688176178,-2071.021864905,-2071.0761067399,-2071.1316657807,-2071.1885904824,-2071.24588255,-2071.296899694,-2071.3398559721,-2071.375476182,-2071.4049608525,-2071.4293399057,-2071.4494685018,-2071.4662146747,-2071.4802809206,-2071.4921919323,-2071.5023288621,-2071.5112712443,-2071.5193582637,-2071.5266388822,-2071.5332116319,-2071.5391050991,-2071.5439873975,-2071.5474048948,-2071.5492459824,-2071.5495348878,-2071.5479883824,-2071.5445173615,-2071.5394142786,-2071.5325890155,-2071.5237447598,-2071.512590883,-2071.4988426357,-2071.4821922578,-2071.4620374068,-2071.4379704728,-2071.4095173466,-2071.3760334146,-2071.3368738602,-2071.2915545388,-2071.2395699166,-2071.1802428399,-2071.1126618883,-2071.0358308956,-2070.9487444713,-2070.8514247138,-2070.749210595,-2070.6443462507,-2070.5382634352,-2070.4327306551,-2070.3290126063,-2070.2284522428,-2070.1326745305,-2070.0429070641,-2069.9599005921,-2069.8844024163,-2069.8169702763,-2069.7579585626,-2069.7074100536,-2069.6626787814,-2069.6203915474,-2069.5790871999,-2069.5375709885,-2069.4941167794,-2069.4478059549,-2069.3979775806,-2069.3442655069,-2069.2867905672,-2069.2266499938,-2069.1647175987,-2069.1016060641,-2069.0379803794,-2068.9747918034,-2068.9128590028,-2068.8530805241,-2068.7962174556,-2068.7429838498,-2068.6936546229,-2068.6483927784,-2068.6076844884,-2068.5719344231,-2068.5413728958,-2068.5160854632,-2068.4962558082,-2068.4820015203,-2068.4733773396,-2068.4704603075,-2068.4732629939,-2068.4813134186,-2068.4941789332,-2068.5111726524,-2068.5316851378,-2068.5549471916,-2068.5804142525,-2068.6075401371,-2068.6358378625,-2068.6652660697,-2068.6958888246,-2068.7276951793,-2068.7607832602,-2068.7956327517,-2068.8325583071,-2068.872004334,-2068.9142250691,-2068.9593758118,-2069.007963008,-2069.0611025421,-2069.1196382208,-2069.18352463,-2069.251503967,-2069.3237749175,-2069.3949660714,-2069.4469880993,-2069.4805003136,-2069.4870934387,-2069.4718789712,-2069.4401427648,-2069.3961135833,-2069.3430620386,-2069.2836042956,-2069.219574346,-2069.1531106979,-2069.085261115,-2069.0160191094,-2068.9467256077,-2068.8778708368,-2068.8098039159,-2068.7433098567,-2068.6801435822,-2068.6214100287,-2068.5654568601,-2068.5104302162,-2068.4570340124,-2068.4052816296,-2068.3528196545,-2068.2981498341,-2068.2359534707,-2068.1626915241,-2068.0805329133,-2067.9916429083,-2067.8986023973,-2067.8178864888,-2067.7525504841,-2067.6940160219,-2067.6408574301,-2067.5852371616,-2067.523456011,-2067.4570592674,-2067.3890637112,-2067.3201116247,-2067.2481829004,-2067.1687304715,-2067.0838867639,-2067.0005782083,-2066.9246948254,-2066.856378939,-2066.7959005997,-2066.7434552494,-2066.700516407,-2066.665818971,-2066.6361547737,-2066.6085548815,-2066.5796533945,-2066.5487780248,-2066.516563756,-2066.4825175228,-2066.4462885842,-2066.4075890482,-2066.3676341424,-2066.3276727488,-2066.287792046,-2066.2481177331,-2066.2109103682,-2066.1774297814,-2066.1519448794,-2066.1355589766,-2066.1284521068,-2066.1309887975,-2066.1436584646,-2066.1662141701,-2066.1981218951,-2066.2385881128,-2066.2868967434,-2066.3425243105,-2066.4046030843,-2066.4732672791,-2066.5476945789,-2066.6276700786,-2066.71203248,-2066.7986230008,-2066.8855520984,-2066.9701650872,-2067.0510719774,-2067.1281713986,-2067.200702668,-2067.2681041942,-2067.3301797242,-2067.3857922885,-2067.4383848285,-2067.4896554996,-2067.5381315939,-2067.5829559241,-2067.6295080099,-2067.6767044054,-2067.7232552748,-2067.7712520903,-2067.8229769004,-2067.8804826567,-2067.947469781,-2068.0243932234,-2068.1095069815,-2068.1975592622,-2068.2907761576,-2068.3902151628,-2068.4909492751,-2068.5902058137,-2068.6832970099,-2068.7637339473,-2068.8283254884,-2068.885380755,-2068.9333491868,-2068.9725681442,-2069.003215228,-2069.0256772673,-2069.0411200207,-2069.0499842463,-2069.0524025365,-2069.0477058471,-2069.0355742536,-2069.0161168304,-2068.9899539637,-2068.9552824785,-2068.9106398039,-2068.8555207103,-2068.7889183877,-2068.7126238467,-2068.6284220159,-2068.5372982148,-2068.4394677537,-2068.3360165116,-2068.2282408119,-2068.1129134295,-2067.9870204221,-2067.8428888681,-2067.6726078284,-2067.4751145365,-2067.2619814273,-2067.0311790673,-2066.7859200842,-2066.5227655917,-2066.240529557,-2065.9343385011,-2065.6067664189,-2065.2663121974,-2064.9191886204,-2064.5759154932,-2064.2442512943,-2063.9303236561,-2063.6394760107,-2063.3697393411,-2063.1175356806,-2062.881252025,-2062.6626497848,-2062.4647627706,-2062.2932733968,-2062.1579659257,-2062.0614549007,-2062.0022854548,-2061.9799888519,-2061.9942674686,-2062.0448626079,-2062.1322357076,-2062.2560891442,-2062.4152867595,-2062.6083088097,-2062.8335228272,-2063.0890781956,-2063.3730553667,-2063.6829087293,-2064.0160350936,-2064.3698685744,-2064.7414086104],"F":[0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.05221486,0.21115828,0.41757524,0.67809606,0.99973327,1.3901726,1.85808659,2.4135046,3.06801581,3.83584547,4.73260021,5.77869415,6.99878597,8.40091515,9.90609074,11.44764233,13.16017818,15.07407188,17.13397217,18.92139435,20.45244217,21.85664368,23.19936752,24.46283722,25.63064766,26.69026947,27.6352005,28.45814323,29.15534019,29.72624397,30.17157745,30.49552917,30.70404243,30.8038063,30.80267906,30.70856094,30.52864075,30.26911926,29.93611526,29.53422928,29.0669632,28.53446579,27.93515587,27.26608086,26.52154922,25.69550133,24.78089523,23.76926804,22.65338516,21.42627335,20.08301544,18.62005997,17.03637314,15.33416367,13.51834869,11.59757614,9.58319473,7.49011612,5.33669472,3.14343643,0.93326569,-1.26998138,-3.44139862,-5.55526352,-7.58787346,-9.51478577,-11.31323242,-12.96272278,-14.44820595,-15.74951363,-16.85721779,-17.76813507,-18.48141479,-18.99490929,-19.30096054,-19.42070961,-19.36480331,-19.14666557,-18.78133392,-18.27707481,-17.65051079,-16.92355347,-16.11414909,-15.23073196,-14.29008484,-13.31290054,-12.30508518,-11.29347038,-10.29477692,-9.31970882,-8.3801775,-7.48440838,-6.63828182,-5.84443378,-5.10968685,-4.44210911,-3.84778404,-3.33207512,-2.89830971,-2.54348564,-2.27449989,-2.08827019,-1.9886446,-1.97212219,-2.04658222,-2.1981926,-2.42215347,-2.71259499,-3.06106281,-3.46064758,-3.89947033,-4.36467266,-4.84900284,-5.33844662,-5.83072567,-6.31527042,-6.78068829,-7.22353458,-7.6387682,-8.02052116,-8.36577415,-8.65985584,-8.90965652,-9.11204338,-9.14457703,-9.06332779,-8.93815422,-8.79104233,-8.63284206,-8.45497704,-8.27474785,-8.07826042,-7.87834263,-7.68376064,-7.49989891,-7.32544231,-7.1569562,-6.99373865,-6.84189987,-6.69454384,-6.55175018,-6.41187668,-6.27892876,-6.14349461,-6.01764202,-5.89886189,-5.79020023,-5.69361115,-5.60545921,-5.52564621,-5.45024681,-5.38916349,-5.33796787,-5.27070284,-5.22541952,-5.17709064,-5.13982439,-5.13015747,-5.14038324,-5.1783514,-5.24463654,-5.34545708,-5.47525358,-5.60894299,-5.74167633,-5.49494934,-4.69418669,-3.89705348,-3.22786808,-2.6705215,-2.2041471,-1.82527697,-1.52663314,-1.28994048,-1.0922966,-0.93741524,-0.84820342,-0.76437783,-0.68997633,-0.62251747,-0.54245424,-0.4193877,-0.26089025,-0.10856414,0.05774355,0.25410128,0.43122721,0.58761907,0.77842033,0.99197328,1.23760068,1.50926995,1.82410002,2.19836473,2.61033225,3.07463646,3.61880541,4.20165682,4.84284306,5.53526497,6.31211567,7.1857729,8.15627861,9.22445393,10.02059364,10.34328651,10.55625343,10.5718689,10.45533848,10.21216393,9.82084846,9.2667408,8.62637138,7.91493797,7.13513279,6.30976343,5.45944834,4.68262291,4.30680227,4.15013027,4.10589695,4.21992302,4.46234846,4.78725052,5.15308666,5.55416155,5.88702774,6.09897137,6.24509048,6.33582687,6.33816242,6.2515316,6.08314037,5.83141899,5.49910307,5.11162663,4.7251339,4.29394054,3.81924605,3.30671334,2.78718233,2.25381303,1.70000565,1.14201617,0.57717896,0.00568032,-0.55553102,-1.04791141,-1.50256109,-1.87751842,-2.19999337,-2.43485856,-2.63806176,-2.76665473,-2.88055086,-2.99175954,-3.11866474,-3.22640705,-3.3835144,-3.57279301,-3.8011415,-4.07065105,-4.3505044,-4.6641593,-5.03723907,-5.56479168,-6.11053848,-6.57875252,-6.9893136,-7.42969799,-6.14159918,-4.37445831,-1.94897807,0.52684128,2.42149305,3.83955884,4.88761997,5.65035582,6.17597246,6.54259253,6.70280123,6.84436226,6.93447113,6.88986683,6.82583141,6.72861862,6.52270603,6.06751585,5.66749334,5.52337646,5.44734287,5.20166492,5.13460922,5.33389187,5.6130991,6.80023289,7.77923393,8.58047485,9.10292816,9.12604713,7.10062885,6.05618954,5.65694141,5.22686481,5.8701911,6.44743586,6.7261138,6.81724024,6.97686052,7.50105286,8.33711433,8.50384903,7.9243679,7.20277071,6.41945934,5.64897156,4.80221748,3.81449366,3.15847111,2.80149269,2.78632641,2.9891057,3.14528203,3.30153608,3.50080967,3.73174524,3.97268152,3.9939642,3.97165656,4.01117182,3.83443451,3.58983374,2.98277617,2.0906601,1.17460716,0.23903549,-0.7578764,-1.76118827,-2.72622061,-3.63872743,-4.42203808,-5.19794416,-5.87203932,-6.53203821,-7.14425945,-7.70033789,-8.22390175,-8.55815697,-8.68111992,-8.62908936,-8.25740337,-7.88350296,-7.46636772,-6.98034382,-6.48570919,-5.81742239,-5.341115,-5.17679024,-5.01375389,-4.6314168,-4.4792943,-4.76494884,-4.67563105,-4.66291142,-4.95889854,-5.39212227,-6.11192989,-7.2039547,-8.19082451,-8.62875652,-8.97228622,-9.75352287,-9.9997139,-10.059659,-9.68332005,-8.73336411,-7.19744539,-5.99634218,-5.27069759,-4.32897329,-3.47712541,-2.62697554,-1.87670541,-1.20391846,-0.56805575,0.09962496,0.843292,1.59530473,2.27758265,2.99948812,3.94700313,4.96204996,6.04833221,7.18544245,8.0224514,8.74353027,9.43235779,10.05580139,10.50507355,11.09104156,11.94954777,13.3166132,15.5028286,18.68014145,20.38673592,22.18550682,23.74510956,25.29785728,27.25109291,29.31520653,31.73752213,33.46458435,34.51104736,34.49322128,33.70678711,32.26431656,30.19090271,27.97790527,25.8491478,24.40639496,22.75536537,20.80496597,18.51226425,15.46836281,11.53519821,7.74483681,4.06569719,0.39455116,-3.24435902,-6.86507559,-10.54817009,-14.13641167,-17.58923149,-20.88429832,-24.00214386,-26.94410706,-29.65272141,-32.10243607,-34.29747009,-36.23262787,-37.8178215],"S^2":[],"force-flip-times":7,"force-total-variation":322.95169686,"force-jump":10.5943613,"energy-diff-flip-times":7,"energy-grad-norm-max":37.0534405613,"energy-jump":0.1063846962,"energy-total-variation":39.6933105113,"tortuosity":4.5415704062,"conservation-deviation":0.0260279353,"spearman-descending-force":null,"spearman-ascending-force":-0.0294661113,"spearman-repulsion-energy":-0.4468232068,"spearman-attraction-energy":null,"pbe-energy-mae":null,"pbe-force-mae":null},{"name":"NN","method":"ANI2x","R":[5.146,5.13596214,5.12592428,5.11588642,5.10584856,5.0958107,5.08577282,5.07573496,5.0656971,5.05565924,5.04562138,5.03558352,5.02554566,5.0155078,5.00546994,4.99543208,4.9853942,4.97535634,4.96531848,4.95528062,4.94524276,4.9352049,4.92516704,4.91512918,4.90509132,4.89505346,4.8850156,4.87497772,4.86493986,4.854902,4.84486414,4.83482628,4.82478842,4.81475056,4.8047127,4.79467484,4.78463698,4.7745991,4.76456124,4.75452338,4.74448552,4.73444766,4.7244098,4.71437194,4.70433408,4.69429622,4.68425836,4.67422048,4.66418262,4.65414476,4.6441069,4.63406904,4.62403118,4.61399332,4.60395546,4.5939176,4.58387974,4.57384188,4.563804,4.55376614,4.54372828,4.53369042,4.52365256,4.5136147,4.50357684,4.49353898,4.48350112,4.47346326,4.46342538,4.45338752,4.44334966,4.4333118,4.42327394,4.41323608,4.40319822,4.39316036,4.3831225,4.37308464,4.36304678,4.3530089,4.34297104,4.33293318,4.32289532,4.31285746,4.3028196,4.29278174,4.28274388,4.27270602,4.26266816,4.25263028,4.24259242,4.23255456,4.2225167,4.21247884,4.20244098,4.19240312,4.18236526,4.1723274,4.16228954,4.15225168,4.1422138,4.13217594,4.12213808,4.11210022,4.10206236,4.0920245,4.08198664,4.07194878,4.06191092,4.05187306,4.04183518,4.03179732,4.02175946,4.0117216,4.00168374,3.99164588,3.98160802,3.97157016,3.9615323,3.95149444,3.94145658,3.9314187,3.92138084,3.91134298,3.90130512,3.89126726,3.8812294,3.87119154,3.86115368,3.85111582,3.84107796,3.83104008,3.82100222,3.81096436,3.8009265,3.79088864,3.78085078,3.77081292,3.76077506,3.7507372,3.74069934,3.73066146,3.7206236,3.71058574,3.70054788,3.69051002,3.68047216,3.6704343,3.66039644,3.65035858,3.64032072,3.63028286,3.62024498,3.61020712,3.60016926,3.5901314,3.58009354,3.57005568,3.56001782,3.54997996,3.5399421,3.52990424,3.51986636,3.5098285,3.49979064,3.48975278,3.47971492,3.46967706,3.4596392,3.44960134,3.43956348,3.42952562,3.41948776,3.40944988,3.39941202,3.38937416,3.3793363,3.36929844,3.35926058,3.34922272,3.33918486,3.329147,3.31910914,3.30907126,3.2990334,3.28899554,3.27895768,3.26891982,3.25888196,3.2488441,3.23880624,3.22876838,3.21873052,3.20869266,3.19865478,3.18861692,3.17857906,3.1685412,3.15850334,3.14846548,3.13842762,3.12838976,3.1183519,3.10831404,3.09827616,3.0882383,3.07820044,3.06816258,3.05812472,3.04808686,3.038049,3.02801114,3.01797328,3.00793542,2.99789756,2.98785968,2.97782182,2.96778396,2.9577461,2.94770824,2.93767038,2.92763252,2.91759466,2.9075568,2.89751894,2.88748106,2.8774432,2.86740534,2.85736748,2.84732962,2.83729176,2.8272539,2.81721604,2.80717818,2.79714032,2.78710244,2.77706458,2.76702672,2.75698886,2.746951,2.73691314,2.72687528,2.71683742,2.70679956,2.6967617,2.68672384,2.67668596,2.6666481,2.65661024,2.64657238,2.63653452,2.62649666,2.6164588,2.60642094,2.59638308,2.58634522,2.57630734,2.56626948,2.55623162,2.54619376,2.5361559,2.52611804,2.51608018,2.50604232,2.49600446,2.4859666,2.47592874,2.46589086,2.455853,2.44581514,2.43577728,2.42573942,2.41570156,2.4056637,2.39562584,2.38558798,2.37555012,2.36551224,2.35547438,2.34543652,2.33539866,2.3253608,2.31532294,2.30528508,2.29524722,2.28520936,2.2751715,2.26513364,2.25509576,2.2450579,2.23502004,2.22498218,2.21494432,2.20490646,2.1948686,2.18483074,2.17479288,2.16475502,2.15471714,2.14467928,2.13464142,2.12460356,2.1145657,2.10452784,2.09448998,2.08445212,2.07441426,2.0643764,2.05433854,2.04430066,2.0342628,2.02422494,2.01418708,2.00414922,1.99411136,1.9840735,1.97403564,1.96399778,1.95395992,1.94392204,1.93388418,1.92384632,1.91380846,1.9037706,1.89373274,1.88369488,1.87365702,1.86361916,1.8535813,1.84354342,1.83350556,1.8234677,1.81342984,1.80339198,1.79335412,1.78331626,1.7732784,1.76324054,1.75320268,1.74316482,1.73312694,1.72308908,1.71305122,1.70301336,1.6929755,1.68293764,1.67289978,1.66286192,1.65282406,1.6427862,1.63274832,1.62271046,1.6126726,1.60263474,1.59259688,1.58255902,1.57252116,1.5624833,1.55244544,1.54240758,1.53236972,1.52233184,1.51229398,1.50225612,1.49221826,1.4821804,1.47214254,1.46210468,1.45206682,1.44202896,1.4319911,1.42195322,1.41191536,1.4018775,1.39183964,1.38180178,1.37176392,1.36172606,1.3516882,1.34165034,1.33161248,1.32157462,1.31153674,1.30149888,1.29146102,1.28142316,1.2713853,1.26134744,1.25130958,1.24127172,1.23123386,1.221196,1.21115812,1.20112026,1.1910824,1.18104454,1.17100668,1.16096882,1.15093096,1.1408931,1.13085524,1.12081738,1.11077952,1.10074164,1.09070378,1.08066592,1.07062806,1.0605902,1.05055234,1.04051448,1.03047662,1.02043876,1.0104009,1.00036302,0.99032516,0.9802873,0.97024944,0.96021158,0.95017372,0.94013586,0.930098,0.92006014,0.91002228,0.8999844,0.88994654,0.87990868,0.86987082,0.85983296,0.8497951,0.83975724,0.82971938,0.81968152,0.80964366,0.7996058,0.78956792,0.77953006,0.7694922,0.75945434,0.74941648,0.73937862,0.72934076,0.7193029,0.70926504,0.69922718,0.6891893,0.67915144,0.66911358,0.65907572,0.64903786,0.639],"E":[-2977.6369050639,-2977.6369050639,-2977.6369050639,-2977.6369050639,-2977.6369050639,-2977.6369002489,-2977.6368455216,-2977.6367135944,-2977.6364834711,-2977.6361321153,-2977.6356339943,-2977.6349625173,-2977.6340882554,-2977.6329817097,-2977.6316137617,-2977.6299533984,-2977.6279706046,-2977.6256380958,-2977.6229288095,-2977.6198191675,-2977.6162875335,-2977.6123151731,-2977.6078884741,-2977.6029952515,-2977.5976304273,-2977.5917895982,-2977.5854749152,-2977.5786916368,-2977.5714464439,-2977.5637519193,-2977.5556197093,-2977.5470644208,-2977.538099148,-2977.528736605,-2977.5189930933,-2977.5088767353,-2977.4983983205,-2977.4875628098,-2977.4763766339,-2977.4648381834,-2977.4529474711,-2977.4406986302,-2977.4280857051,-2977.4150988376,-2977.4017287016,-2977.3879616882,-2977.3737798421,-2977.3591708722,-2977.3441145424,-2977.3285956093,-2977.3125967637,-2977.2960966166,-2977.2790780363,-2977.2615220667,-2977.2434073947,-2977.2247112878,-2977.2054104564,-2977.1854811036,-2977.1648998638,-2977.1436382517,-2977.1216757653,-2977.0989840209,-2977.075543454,-2977.0513319152,-2977.0263326276,-2977.0005320585,-2976.9739350734,-2976.9465533301,-2976.9184094848,-2976.8895354692,-2976.8599814615,-2976.8298075236,-2976.7990865915,-2976.7679135986,-2976.7363867218,-2976.704627403,-2976.6727562726,-2976.6409240685,-2976.6092782844,-2976.5779837484,-2976.5471945434,-2976.5170768154,-2976.4877860664,-2976.4594818533,-2976.4323052835,-2976.4063868206,-2976.3818480078,-2976.3587814973,-2976.3372631142,-2976.3173430369,-2976.2990527914,-2976.2824019067,-2976.2673709195,-2976.2539243503,-2976.2420082701,-2976.2315489826,-2976.2224541396,-2976.214622472,-2976.2079533191,-2976.2023567655,-2976.1977300217,-2976.1939557009,-2976.1909229039,-2976.188526307,-2976.1866606878,-2976.1852357253,-2976.1841688027,-2976.1833926102,-2976.1828485558,-2976.1824947734,-2976.1822947698,-2976.182217627,-2976.1822365832,-2976.1823358247,-2976.1825074447,-2976.1827546869,-2976.1830802883,-2976.1834942847,-2976.1840007308,-2976.1846036814,-2976.185305468,-2976.1861088278,-2976.1870207551,-2976.1880532117,-2976.189223532,-2976.1905358721,-2976.1920110128,-2976.1936594969,-2976.1954890283,-2976.1975206921,-2976.1997836829,-2976.2023043571,-2976.205112923,-2976.2082375615,-2976.2116969248,-2976.2154903032,-2976.2196134393,-2976.2240627851,-2976.2288345898,-2976.2339305767,-2976.2393472994,-2976.2450785741,-2976.2511097022,-2976.2574104753,-2976.2639302083,-2976.2706147695,-2976.2773915776,-2976.2841737584,-2976.2908560893,-2976.2973175344,-2976.3034285423,-2976.3090024903,-2976.313856405,-2976.3178369131,-2976.3207602301,-2976.3224733884,-2976.3228134858,-2976.3216045435,-2976.3186664263,-2976.3138072404,-2976.3068455328,-2976.2975924507,-2976.2858470781,-2976.2714213731,-2976.2541417896,-2976.2338402558,-2976.210371812,-2976.1835936276,-2976.1533576004,-2976.1195173518,-2976.0819579277,-2976.0405619415,-2975.9952433297,-2975.9459219083,-2975.8925071537,-2975.834896986,-2975.7730351447,-2975.7068480348,-2975.6362784837,-2975.5612926335,-2975.4818239853,-2975.3978362486,-2975.3092440696,-2975.2159758808,-2975.1178964543,-2975.0148502879,-2974.9067009373,-2974.7932395795,-2974.6742527288,-2974.5494612113,-2974.418624171,-2974.2815050098,-2974.1379024061,-2973.9875313067,-2973.8301563296,-2973.6656002796,-2973.4936936655,-2973.314217122,-2973.1270283251,-2972.9321009186,-2972.7301489549,-2972.5216018387,-2972.306815177,-2972.0861020014,-2971.8599934922,-2971.6290909783,-2971.39402255,-2971.1554880679,-2970.9146411264,-2970.6727233088,-2970.4304231224,-2970.1883467617,-2969.9470529797,-2969.7070786338,-2969.4690578965,-2969.2334108465,-2969.0005729705,-2968.7708800071,-2968.5446003849,-2968.321817633,-2968.1026493409,-2967.8871084841,-2967.6751569473,-2967.4665644172,-2967.2612230357,-2967.0590460299,-2966.859963657,-2966.6639588868,-2966.4709927931,-2966.2810888938,-2966.0943623455,-2965.9110702234,-2965.7314363532,-2965.5558272898,-2965.3846955504,-2965.2184117448,-2965.0566149947,-2964.8994674927,-2964.7474047254,-2964.6010154519,-2964.4609784476,-2964.327866252,-2964.2024144083,-2964.0852303272,-2963.9767389531,-2963.8773133288,-2963.787262431,-2963.7067971099,-2963.6360438758,-2963.5750043504,-2963.5235617552,-2963.481441985,-2963.448246046,-2963.4235749449,-2963.4070329318,-2963.3982193914,-2963.3965309675,-2963.4012783419,-2963.4115094448,-2963.4261830003,-2963.4443826207,-2963.4644247479,-2963.4859314734,-2963.5088298105,-2963.5331002961,-2963.5585255924,-2963.5847894239,-2963.6118658398,-2963.6395520995,-2963.6680752725,-2963.6970250118,-2963.7261093709,-2963.7554483722,-2963.7851490627,-2963.8156380088,-2963.8472152666,-2963.8799667981,-2963.9141277824,-2963.9496333425,-2963.9863594012,-2964.0242767638,-2964.0632727065,-2964.1034891478,-2964.1451336941,-2964.1883798913,-2964.2334831926,-2964.2806487715,-2964.3299844861,-2964.3814351909,-2964.4353577093,-2964.4922199669,-2964.5520681883,-2964.6150086098,-2964.6812074786,-2964.7504490787,-2964.8232021464,-2964.8994804681,-2964.9790269686,-2965.062145759,-2965.1487873704,-2965.2386363386,-2965.331938385,-2965.4285929505,-2965.5281418411,-2965.6302095812,-2965.7339568246,-2965.8387185822,-2965.9448687075,-2966.0517965459,-2966.1595183165,-2966.2679496794,-2966.3750259239,-2966.4810535939,-2966.5864535789,-2966.6918527529,-2966.7974952157,-2966.9038002349,-2967.0113541363,-2967.1213141635,-2967.2345139858,-2967.3513096159,-2967.4713450411,-2967.593334075,-2967.7171639938,-2967.8431591824,-2967.9701129288,-2968.0977714015,-2968.225824002,-2968.3548789521,-2968.4847148592,-2968.6159018297,-2968.748847778,-2968.8837067867,-2969.0201463614,-2969.1579183474,-2969.2972400828,-2969.438620852,-2969.5823550343,-2969.7285667071,-2969.877241273,-2970.0286147221,-2970.1822783293,-2970.3379385261,-2970.4955847701,-2970.6552494998,-2970.8169181178,-2970.9805958954,-2971.145983182,-2971.3128593957,-2971.4811369526,-2971.650679611,-2971.8213920828,-2971.9932711241,-2972.1664967687,-2972.3407580124,-2972.515971326,-2972.6921277891,-2972.8690392582,-2973.0469246933,-2973.2259033059,-2973.4059045421,-2973.5868951526,-2973.7689858338,-2973.9513567025,-2974.1334696851,-2974.315646531,-2974.4978627086,-2974.6797620025,-2974.8615662112,-2975.0432404631,-2975.2247875966,-2975.4062286968,-2975.5876556051,-2975.7692538293,-2975.9507424721,-2976.1317239593,-2976.3120119722,-2976.4913634247,-2976.6694451128,-2976.8460506463,-2977.0208782966,-2977.1930080267,-2977.3619930977,-2977.5278917753,-2977.6909244544,-2977.8510245442,-2978.0079359802,-2978.1608102168,-2978.3092556858,-2978.453219776,-2978.5918300945,-2978.7241866757,-2978.8497532707,-2978.9680763486,-2979.0784931504,-2979.1805160848,-2979.2736567498,-2979.3572118379,-2979.4304204638,-2979.4923686727,-2979.5418797579,-2979.5778798024,-2979.5994672187,-2979.6055447744,-2979.5950115879,-2979.5667351503,-2979.5194394119,-2979.4517299227,-2979.3623105619,-2979.2501667141,-2979.1144763674,-2978.9537717811,-2978.7673473164,-2978.5538172411,-2978.3105608792,-2978.0345778216,-2977.7250607804,-2977.3799897494,-2976.9975420904,-2976.5793831656,-2976.1328291998,-2975.6556799505,-2975.1493013825,-2974.6334680056,-2974.1170209327,-2973.6074457533,-2973.1055406573,-2972.6198093973,-2972.1659254456,-2971.7466241787,-2971.3657090108,-2971.0285091818,-2970.7373326911,-2970.5002729444,-2970.3266515501,-2970.2196474812,-2970.174347116,-2970.1866023813,-2970.2534767819,-2970.3724839067,-2970.5412687206,-2970.7556904492,-2971.0115199229,-2971.3036955194,-2971.6272865867,-2971.9772136611,-2972.3482257605,-2972.7351943581,-2973.1324390669,-2973.5345536056],"F":[0.0,0.0,0.0,0.0,0.0,0.00226705,0.00896803,0.01765226,0.02854826,0.04187201,0.05781183,0.07652942,0.09815285,0.12275851,0.15037671,0.18097293,0.2144759,0.25071099,0.28945881,0.33048624,0.37350631,0.41817003,0.46411002,0.51088876,0.55816102,0.60550761,0.65256858,0.698955,0.74435627,0.78855503,0.83145893,0.87298745,0.91314018,0.95189559,0.98944801,1.02598822,1.06174898,1.09699321,1.1319555,1.16695416,1.20230997,1.23829067,1.27499747,1.31262863,1.35153604,1.39190686,1.4338603,1.47743607,1.52269292,1.56963038,1.61852252,1.66926217,1.72185791,1.77647054,1.83326674,1.89224339,1.95364952,2.01758265,2.08383203,2.15259695,2.22388291,2.2976079,2.373317,2.45098662,2.53016996,2.61027622,2.68897414,2.76625943,2.84070873,2.9112432,2.97649908,3.03460884,3.0845716,3.1249783,3.15444422,3.17183399,3.17559743,3.16453743,3.13779378,3.09522724,3.03644276,2.96179128,2.87141204,2.76594114,2.64678264,2.51519728,2.37278414,2.221807,2.06480885,1.90361667,1.74043763,1.57768965,1.41763783,1.26223409,1.11326265,0.97244477,0.8412782,0.72068167,0.60941577,0.50737548,0.41650939,0.3372705,0.26871848,0.2106967,0.16242409,0.12289739,0.09075761,0.06500125,0.04399562,0.02703738,0.01320481,0.00246263,-0.00598145,-0.01357198,-0.02075887,-0.02850223,-0.03671741,-0.04573321,-0.05518675,-0.06509137,-0.07490134,-0.08523202,-0.09661365,-0.10963345,-0.12328863,-0.13846517,-0.15557837,-0.17304254,-0.19175076,-0.21356964,-0.23773408,-0.26486051,-0.29521132,-0.32774615,-0.36146414,-0.39416981,-0.4274354,-0.45928121,-0.49151969,-0.52366495,-0.55547297,-0.58632827,-0.61490858,-0.63946199,-0.65883517,-0.67181361,-0.67700481,-0.67260361,-0.65676355,-0.62848294,-0.58572936,-0.52229774,-0.44254601,-0.3470304,-0.23288441,-0.10525417,0.04034245,0.20353341,0.38514197,0.58595222,0.80445981,1.04264259,1.30065608,1.57652617,1.86936736,2.17817092,2.50029016,2.83736897,3.18962097,3.55452871,3.93108082,4.31824112,4.71271849,5.11584234,5.52903461,5.95007801,6.37687778,6.8117342,7.24942827,7.69241428,8.14134979,8.59481812,9.05752754,9.52840996,10.01607895,10.51720238,11.0351572,11.57446384,12.13830185,12.72938156,13.34339142,13.97887993,14.63857651,15.32556057,16.03293991,16.756464,17.49945831,18.26186943,19.03699493,19.78023529,20.45290184,21.09272385,21.69986916,22.26711464,22.77471352,23.22085571,23.60412216,23.90907097,24.05871773,24.13023186,24.13730431,24.08562851,23.98303604,23.81759071,23.60085297,23.34260178,23.04458237,22.71476555,22.37005234,22.01525116,21.65356636,21.29082489,20.9455452,20.61625099,20.29961205,19.9864769,19.67949867,19.37501144,19.07208633,18.76406479,18.43536758,18.08213425,17.70217896,17.27972794,16.8067894,16.34599304,15.88480186,15.41404247,14.8771019,14.27677727,13.61746597,12.89142418,12.09536552,11.24648762,10.36253357,9.44280148,8.49583817,7.53347349,6.56392336,5.59956789,4.65445614,3.74510431,2.87550068,2.04814577,1.25400829,0.51353359,-0.1680789,-0.75836563,-1.25761318,-1.65904522,-1.91720295,-2.07177925,-2.21133757,-2.35047674,-2.48332071,-2.57357502,-2.66406775,-2.72293472,-2.80150414,-2.86743116,-2.89433765,-2.90623045,-2.93666887,-2.98993587,-3.09127665,-3.20031738,-3.33004951,-3.47628784,-3.5963316,-3.71859598,-3.83619356,-3.94047022,-4.07594681,-4.22477865,-4.39632177,-4.59351015,-4.80866766,-5.01603174,-5.24094009,-5.50993252,-5.82112408,-6.10876226,-6.43612671,-6.74055576,-7.063694,-7.44353437,-7.75619555,-8.09992409,-8.46657562,-8.78683281,-9.11901188,-9.46507072,-9.78527641,-10.04369831,-10.28087997,-10.38094521,-10.49998283,-10.64086723,-10.68061447,-10.7921505,-10.73670673,-10.60630703,-10.52527809,-10.48945808,-10.50719452,-10.55187607,-10.639081,-10.81785965,-11.10292816,-11.45548439,-11.80895042,-12.07581902,-12.23698711,-12.4422884,-12.62901974,-12.68116951,-12.72994518,-12.80331707,-12.89302826,-12.98997307,-13.15170574,-13.34791756,-13.51871681,-13.66482544,-13.79334641,-13.97359467,-14.19908142,-14.44408321,-14.68698406,-14.94822025,-15.2023468,-15.41048622,-15.60472202,-15.80824852,-16.00491142,-16.20712471,-16.40016365,-16.55010223,-16.69608688,-16.83416939,-16.94706917,-17.06303787,-17.19214439,-17.31001472,-17.40659714,-17.50778389,-17.58372879,-17.66599274,-17.77641487,-17.88009834,-17.9794178,-18.08698654,-18.17921257,-18.14953613,-18.14560127,-18.1574707,-18.14157104,-18.10567856,-18.11001968,-18.08733177,-18.08602524,-18.06740952,-18.08596992,-18.09570312,-18.05673409,-17.99256325,-17.92147064,-17.80872917,-17.67227364,-17.51225471,-17.30345535,-16.99206734,-16.67638969,-16.38399506,-16.09537315,-15.79888248,-15.44508362,-15.01030064,-14.56544876,-14.10105324,-13.50387955,-12.85543919,-12.15826988,-11.40706444,-10.58819199,-9.73063946,-8.81643867,-7.82017708,-6.751194,-5.57171679,-4.27441978,-2.88356113,-1.39826441,0.20590897,1.91249919,3.74236202,5.70509148,7.80611324,10.02978516,12.32392883,14.7435503,17.27966309,19.8836689,22.7035656,25.82692337,29.17780876,32.53297424,36.23941803,39.9798851,43.0927887,45.92877579,49.22432327,51.22589111,51.41898346,51.26473618,50.33082581,49.73160172,46.87462997,43.5124321,39.9847374,35.80265427,31.34479904,26.50804329,20.52671051,13.98390102,7.44454622,1.60026705,-3.99213552,-9.27962494,-14.40163231,-19.15924835,-23.4980545,-27.37869644,-30.75517654,-33.63600159,-35.99433136,-37.84873581,-39.1515007,-39.91121674,-40.10635757],"S^2":[],"force-flip-times":5,"force-total-variation":235.97695587,"force-jump":0.9696568,"energy-diff-flip-times":5,"energy-grad-norm-max":51.4192976723,"energy-jump":0.0856236508,"energy-total-variation":43.5219837689,"tortuosity":5.4134305944,"conservation-deviation":0.0115455585,"spearman-descending-force":null,"spearman-ascending-force":0.3314185832,"spearman-repulsion-energy":-0.8405411656,"spearman-attraction-energy":-0.5186154809,"pbe-energy-mae":null,"pbe-force-mae":null},{"name":"OO","method":"ANI2x","R":[4.65,4.6399604,4.6299208,4.61988118,4.60984158,4.59980198,4.58976238,4.57972278,4.56968316,4.55964356,4.54960396,4.53956436,4.52952476,4.51948514,4.50944554,4.49940594,4.48936634,4.47932674,4.46928712,4.45924752,4.44920792,4.43916832,4.42912872,4.4190891,4.4090495,4.3990099,4.3889703,4.3789307,4.36889108,4.35885148,4.34881188,4.33877228,4.32873268,4.31869306,4.30865346,4.29861386,4.28857426,4.27853466,4.26849504,4.25845544,4.24841584,4.23837624,4.22833664,4.21829702,4.20825742,4.19821782,4.18817822,4.17813862,4.168099,4.1580594,4.1480198,4.1379802,4.1279406,4.117901,4.10786138,4.09782178,4.08778218,4.07774258,4.06770298,4.05766336,4.04762376,4.03758416,4.02754456,4.01750496,4.00746534,3.99742574,3.98738614,3.97734654,3.96730694,3.95726732,3.94722772,3.93718812,3.92714852,3.91710892,3.9070693,3.8970297,3.8869901,3.8769505,3.8669109,3.85687128,3.84683168,3.83679208,3.82675248,3.81671288,3.80667326,3.79663366,3.78659406,3.77655446,3.76651486,3.75647524,3.74643564,3.73639604,3.72635644,3.71631684,3.70627722,3.69623762,3.68619802,3.67615842,3.66611882,3.6560792,3.6460396,3.636,3.6259604,3.6159208,3.60588118,3.59584158,3.58580198,3.57576238,3.56572278,3.55568316,3.54564356,3.53560396,3.52556436,3.51552476,3.50548514,3.49544554,3.48540594,3.47536634,3.46532674,3.45528712,3.44524752,3.43520792,3.42516832,3.41512872,3.4050891,3.3950495,3.3850099,3.3749703,3.3649307,3.35489108,3.34485148,3.33481188,3.32477228,3.31473268,3.30469306,3.29465346,3.28461386,3.27457426,3.26453466,3.25449504,3.24445544,3.23441584,3.22437624,3.21433664,3.20429702,3.19425742,3.18421782,3.17417822,3.16413862,3.154099,3.1440594,3.1340198,3.1239802,3.1139406,3.103901,3.09386138,3.08382178,3.07378218,3.06374258,3.05370298,3.04366336,3.03362376,3.02358416,3.01354456,3.00350496,2.99346534,2.98342574,2.97338614,2.96334654,2.95330694,2.94326732,2.93322772,2.92318812,2.91314852,2.90310892,2.8930693,2.8830297,2.8729901,2.8629505,2.8529109,2.84287128,2.83283168,2.82279208,2.81275248,2.80271288,2.79267326,2.78263366,2.77259406,2.76255446,2.75251486,2.74247524,2.73243564,2.72239604,2.71235644,2.70231684,2.69227722,2.68223762,2.67219802,2.66215842,2.65211882,2.6420792,2.6320396,2.622,2.6119604,2.6019208,2.59188118,2.58184158,2.57180198,2.56176238,2.55172278,2.54168316,2.53164356,2.52160396,2.51156436,2.50152476,2.49148514,2.48144554,2.47140594,2.46136634,2.45132674,2.44128712,2.43124752,2.42120792,2.41116832,2.40112872,2.3910891,2.3810495,2.3710099,2.3609703,2.3509307,2.34089108,2.33085148,2.32081188,2.31077228,2.30073268,2.29069306,2.28065346,2.27061386,2.26057426,2.25053466,2.24049504,2.23045544,2.22041584,2.21037624,2.20033664,2.19029702,2.18025742,2.17021782,2.16017822,2.15013862,2.140099,2.1300594,2.1200198,2.1099802,2.0999406,2.089901,2.07986138,2.06982178,2.05978218,2.04974258,2.03970298,2.02966336,2.01962376,2.00958416,1.99954456,1.98950496,1.97946534,1.96942574,1.95938614,1.94934654,1.93930694,1.92926732,1.91922772,1.90918812,1.89914852,1.88910892,1.8790693,1.8690297,1.8589901,1.8489505,1.8389109,1.82887128,1.81883168,1.80879208,1.79875248,1.78871288,1.77867326,1.76863366,1.75859406,1.74855446,1.73851486,1.72847524,1.71843564,1.70839604,1.69835644,1.68831684,1.67827722,1.66823762,1.65819802,1.64815842,1.63811882,1.6280792,1.6180396,1.608,1.5979604,1.5879208,1.57788118,1.56784158,1.55780198,1.54776238,1.53772278,1.52768316,1.51764356,1.50760396,1.49756436,1.48752476,1.47748514,1.46744554,1.45740594,1.44736634,1.43732674,1.42728712,1.41724752,1.40720792,1.39716832,1.38712872,1.3770891,1.3670495,1.3570099,1.3469703,1.3369307,1.32689108,1.31685148,1.30681188,1.29677228,1.28673268,1.27669306,1.26665346,1.25661386,1.24657426,1.23653466,1.22649504,1.21645544,1.20641584,1.19637624,1.18633664,1.17629702,1.16625742,1.15621782,1.14617822,1.13613862,1.126099,1.1160594,1.1060198,1.0959802,1.0859406,1.075901,1.06586138,1.05582178,1.04578218,1.03574258,1.02570298,1.01566336,1.00562376,0.99558416,0.98554456,0.97550496,0.96546534,0.95542574,0.94538614,0.93534654,0.92530694,0.91526732,0.90522772,0.89518812,0.88514852,0.87510892,0.8650693,0.8550297,0.8449901,0.8349505,0.8249109,0.81487128,0.80483168,0.79479208,0.78475248,0.77471288,0.76467326,0.75463366,0.74459406,0.73455446,0.72451486,0.71447524,0.70443564,0.69439604,0.68435644,0.67431684,0.66427722,0.65423762,0.64419802,0.63415842,0.62411882,0.6140792,0.6040396,0.594],"E":[-4091.9333563058,-4091.933336678,-4091.9332773003,-4091.9331808972,-4091.9330485455,-4091.9328837808,-4091.9326885415,-4091.9324666419,-4091.9322194251,-4091.9319473979,-4091.9316511178,-4091.931328342,-4091.930976473,-4091.9305912658,-4091.9301677026,-4091.9296970149,-4091.9291676465,-4091.9285600582,-4091.9278531523,-4091.9270322682,-4091.9260807684,-4091.9249807865,-4091.9237185614,-4091.9222831831,-4091.920663843,-4091.9188552193,-4091.9168505833,-4091.9146494664,-4091.9122510575,-4091.9096495911,-4091.9068443958,-4091.9038474839,-4091.9006770387,-4091.8973476575,-4091.893853106,-4091.8902025457,-4091.8864155789,-4091.8825113773,-4091.8785024856,-4091.8743963037,-4091.8701970132,-4091.8659034736,-4091.8615097041,-4091.857005441,-4091.8523758081,-4091.8475995431,-4091.8426682069,-4091.8375535171,-4091.8322245558,-4091.8266424475,-4091.8207638817,-4091.8145442555,-4091.8079355447,-4091.8008892183,-4091.793354515,-4091.7852827265,-4091.776624308,-4091.7673260147,-4091.7573387074,-4091.7466123092,-4091.7351016088,-4091.7227621048,-4091.7095473695,-4091.695421011,-4091.6803528209,-4091.664318369,-4091.6472998648,-4091.6292804809,-4091.6102304649,-4091.5901408964,-4091.5690173507,-4091.5468669238,-4091.5237076595,-4091.4995750374,-4091.4745063112,-4091.4485604277,-4091.4217973981,-4091.3942931488,-4091.3662350121,-4091.3377434666,-4091.3088876976,-4091.2797150957,-4091.2502848611,-4091.2206571572,-4091.1908591511,-4091.1609023992,-4091.130817211,-4091.100618184,-4091.0703097784,-4091.0398972655,-4091.0093699001,-4090.9787306218,-4090.9479642251,-4090.9170694937,-4090.8860391287,-4090.8548855988,-4090.8236122492,-4090.7922400636,-4090.7608043188,-4090.7293359327,-4090.6978927879,-4090.6665387475,-4090.6353537928,-4090.6044262174,-4090.573860838,-4090.5437770691,-4090.5142889521,-4090.4855343506,-4090.457649101,-4090.430762653,-4090.404992495,-4090.3804629068,-4090.3572870178,-4090.3355696448,-4090.3154014129,-4090.2968593636,-4090.2800022916,-4090.2648672985,-4090.2514657377,-4090.2397742941,-4090.2297623538,-4090.2213830838,-4090.2145606591,-4090.2092097257,-4090.2052345903,-4090.202527192,-4090.2009695358,-4090.2004602513,-4090.2009129712,-4090.2022202427,-4090.2042786683,-4090.2069941762,-4090.21026864,-4090.2140215717,-4090.2181978259,-4090.2227576653,-4090.2276645966,-4090.2328932773,-4090.2384199867,-4090.2442299248,-4090.250312549,-4090.2564724174,-4090.2626511407,-4090.268856423,-4090.2751040781,-4090.2814048512,-4090.2877729343,-4090.294212382,-4090.300726641,-4090.3073102373,-4090.3139542503,-4090.320627458,-4090.3272990437,-4090.3339623171,-4090.3406184946,-4090.3472900803,-4090.3539851839,-4090.3606703533,-4090.3673332212,-4090.3739877767,-4090.3806579433,-4090.3873603456,-4090.3941067426,-4090.40091457,-4090.4078184965,-4090.4148478181,-4090.422010543,-4090.4293193425,-4090.4367826304,-4090.4444001025,-4090.4521484437,-4090.4599888292,-4090.4678937875,-4090.4758340227,-4090.4837623976,-4090.4915853473,-4090.4992385018,-4090.5066489757,-4090.513751588,-4090.520526166,-4090.5269288163,-4090.5328698262,-4090.5382682008,-4090.5430527782,-4090.5471264456,-4090.5503991861,-4090.5527662843,-4090.5540718325,-4090.5542462908,-4090.5532089684,-4090.5508867773,-4090.5471945664,-4090.5420180914,-4090.5352874068,-4090.5269304382,-4090.5168716649,-4090.5050052561,-4090.4912625842,-4090.4755969175,-4090.4579605106,-4090.4382933522,-4090.4165338091,-4090.39261741,-4090.3664693434,-4090.3380286858,-4090.3072538754,-4090.2741159203,-4090.2385602832,-4090.2005565531,-4090.16015947,-4090.117453982,-4090.0724642155,-4090.0252840392,-4089.9759454863,-4089.9246168313,-4089.871420327,-4089.8163845598,-4089.7595516996,-4089.7009533741,-4089.6406307396,-4089.5785967715,-4089.5148165984,-4089.4493025874,-4089.3820123658,-4089.3129136979,-4089.2420298987,-4089.1694226015,-4089.0951435052,-4089.019204774,-4088.9415601833,-4088.8622646756,-4088.7813665033,-4088.6989189871,-4088.6150062645,-4088.5296658424,-4088.4429435401,-4088.354564036,-4088.2645038122,-4088.1729931819,-4088.0801039153,-4087.9860594327,-4087.8908824409,-4087.7945822661,-4087.6970117185,-4087.597990359,-4087.4973787021,-4087.3950530759,-4087.2907799233,-4087.1844404382,-4087.0759150037,-4086.9650077724,-4086.851593045,-4086.735455511,-4086.6163851311,-4086.4941779483,-4086.3686806906,-4086.2397895549,-4086.1073512692,-4085.9712863592,-4085.831473586,-4085.6887879782,-4085.5440786134,-4085.3978113897,-4085.2502563576,-4085.1009070709,-4084.9507549313,-4084.801095046,-4084.6523823649,-4084.5051902384,-4084.3602323137,-4084.2183625341,-4084.0809717004,-4083.9489891757,-4083.8243296423,-4083.7083579501,-4083.6014803914,-4083.5036929114,-4083.41099341,-4083.3216812991,-4083.2363258741,-4083.1598983354,-4083.0951373031,-4083.043001335,-4083.0045195425,-4082.981716088,-4082.9787633735,-4082.9981486211,-4083.0370894184,-4083.0882554753,-4083.1514326978,-4083.2270419755,-4083.31454564,-4083.4103284208,-4083.5092131331,-4083.6057622734,-4083.7021557089,-4083.7987559399,-4083.896174432,-4083.9954930092,-4084.0968730531,-4084.2005700169,-4084.3065190235,-4084.4147971145,-4084.5248066103,-4084.6348380022,-4084.7445490638,-4084.8526811815,-4084.9591427165,-4085.0641347873,-4085.167942853,-4085.2708377748,-4085.3734610243,-4085.4761142793,-4085.5789848723,-4085.6822260751,-4085.7856124403,-4085.8892404722,-4085.9929159455,-4086.0960188792,-4086.1980018738,-4086.2987144956,-4086.397889127,-4086.4951961117,-4086.5903260677,-4086.6832327699,-4086.7738626949,-4086.8621927303,-4086.9482034129,-4087.0318331097,-4087.1129463898,-4087.1912590109,-4087.2664275304,-4087.3380359245,-4087.4057817043,-4087.4693291312,-4087.5283562531,-4087.5825159781,-4087.6313849838,-4087.67453346,-4087.7114772621,-4087.7417464374,-4087.7648649508,-4087.7802971617,-4087.7874891826,-4087.7858287369,-4087.7746662436,-4087.7533440121,-4087.721114335,-4087.6772343706,-4087.6208570686,-4087.5510871265,-4087.4669659865,-4087.3673319448,-4087.2510922296,-4087.117234354,-4086.9644879454,-4086.7909480529,-4086.5955790772,-4086.3779053891,-4086.1369023372,-4085.8718992556,-4085.580244297,-4085.2576612562,-4084.8998767661,-4084.5024848675,-4084.064004743,-4083.594677227,-4083.0936110717,-4082.5604040396,-4081.9880275188,-4081.416905557,-4080.918101987,-4080.5087589342,-4080.1948329179,-4080.0261656936,-4079.9457571399,-4079.8751815065,-4079.7743358869,-4079.7052110654,-4079.6807670337,-4079.6999763024,-4079.7635176471,-4079.8738044922,-4080.0287632065,-4080.221906901,-4080.4437156869,-4080.6920096972,-4080.9645012064,-4081.2586664994,-4081.5703696674,-4081.8981590876,-4082.2408045297,-4082.5970165635,-4082.9649056463,-4083.3427217211,-4083.7285103682,-4084.1203187899,-4084.5161560733,-4084.9138974967,-4085.3116875778,-4085.7074818802,-4086.0994318149,-4086.4857167711,-4086.8647744294,-4087.2350639612],"F":[0.00000045,0.00395578,0.00780115,0.01144204,0.01484156,0.01795632,0.02079317,0.02340657,0.02588552,0.02829444,0.03078175,0.03353801,0.03664884,0.04011685,0.0444251,0.04956377,0.05612314,0.06522667,0.07584342,0.08789998,0.10189581,0.11749381,0.13414007,0.15201807,0.17061079,0.1898841,0.20945174,0.22893864,0.24897514,0.26941895,0.28926128,0.30745542,0.32389438,0.33975759,0.35608235,0.37077036,0.38328731,0.39427274,0.40429202,0.41364464,0.42288971,0.43248972,0.44292405,0.45463002,0.46808052,0.48332047,0.49973908,0.51962042,0.54268914,0.569996,0.60181272,0.63803828,0.67924553,0.72534966,0.77642769,0.83235496,0.89345157,0.95968783,1.0307771,1.10669255,1.18706894,1.27205038,1.36112654,1.4535383,1.54860377,1.64592659,1.7446425,1.84582663,1.94923079,2.05249667,2.15554857,2.25691819,2.35588694,2.45120049,2.54189086,2.62589908,2.70391273,2.77156687,2.8173399,2.85700941,2.89073563,2.91971159,2.94201517,2.95975876,2.97637486,2.99046755,3.00252676,3.01355028,3.024086,3.0348208,3.04620934,3.05812168,3.07074594,3.08400488,3.09706664,3.10937572,3.12029862,3.12847853,3.13376474,3.13413119,3.12861538,3.11601019,3.0949769,3.0643146,3.02243996,2.96907687,2.90287781,2.82302094,2.72989368,2.62453508,2.5070281,2.37764788,2.23742867,2.08747983,1.92887473,1.76381505,1.59379876,1.42102504,1.2492857,1.08022034,0.91492933,0.75574917,0.60466808,0.46284068,0.33079839,0.21050322,0.10180128,0.00097573,-0.08937824,-0.16927075,-0.23931539,-0.29981756,-0.35104859,-0.39568889,-0.4357177,-0.4720335,-0.50522673,-0.53581977,-0.5649904,-0.59274769,-0.61304593,-0.61429727,-0.61654496,-0.62001574,-0.6246978,-0.63083196,-0.63788521,-0.64509535,-0.65252531,-0.6587404,-0.66436195,-0.66495383,-0.66428113,-0.66318154,-0.66339719,-0.66584063,-0.66717124,-0.66483235,-0.66292804,-0.66324502,-0.66561741,-0.66984582,-0.67455041,-0.68189913,-0.69390577,-0.70651454,-0.72063619,-0.73553389,-0.75124717,-0.76588708,-0.7771306,-0.78458548,-0.78968275,-0.79141849,-0.78572398,-0.77173287,-0.75159854,-0.72327489,-0.6918478,-0.65754217,-0.61600733,-0.56620151,-0.50843441,-0.44298565,-0.36693305,-0.28396827,-0.18432176,-0.07466573,0.04154396,0.16633695,0.2966944,0.44058406,0.59181541,0.7501446,0.91577101,1.0900377,1.27501142,1.46352601,1.65773702,1.85695004,2.06178379,2.27375126,2.49211407,2.71783566,2.94846869,3.18249273,3.42051268,3.66265702,3.90689635,4.13921404,4.36796856,4.59112835,4.80801964,5.01741886,5.20667553,5.39069223,5.57218456,5.74953032,5.92261982,6.09371138,6.26579285,6.43902826,6.61327171,6.79238892,6.97161674,7.14809036,7.31670332,7.48116541,7.6483202,7.81617832,7.97975063,8.13627434,8.28610039,8.43037128,8.56933117,8.71361446,8.89292431,9.04169273,9.18811798,9.31019974,9.42507172,9.53543949,9.65180206,9.78852844,9.94073772,10.10386848,10.28579426,10.48727226,10.69833565,10.92547703,11.16993523,11.42869663,11.71055031,12.01363373,12.33361816,12.66792488,13.0129385,13.36894417,13.74159241,14.09493256,14.32065773,14.49898529,14.63436508,14.78156853,14.96452713,14.94286442,14.86711788,14.74935055,14.56349277,14.30175209,13.9276228,13.4273243,12.82924557,11.9920826,11.10467911,10.16897774,9.41977119,9.05790997,8.7608366,8.08104324,7.09068203,5.82442617,4.54443932,3.08741522,1.33996737,-0.77978396,-3.09075284,-4.52161169,-5.69238567,-6.91101837,-8.15618706,-9.16937351,-9.85550308,-9.64402294,-9.61020851,-9.61105537,-9.63691139,-9.79381943,-9.98746109,-10.21748829,-10.43923378,-10.66568375,-10.90948105,-10.95418835,-10.96608067,-10.85005379,-10.70086765,-10.52368927,-10.39103222,-10.28516388,-10.22861481,-10.22183895,-10.22928715,-10.26001644,-10.29215813,-10.3077116,-10.32972336,-10.30896759,-10.21104431,-10.10358334,-9.95645046,-9.78962231,-9.58588314,-9.36296368,-9.14147568,-8.91251659,-8.68276596,-8.45066643,-8.20794964,-7.94689846,-7.64983749,-7.3151288,-6.94500828,-6.54371977,-6.11000824,-5.64351797,-5.13831234,-4.59036064,-3.99685097,-3.35590029,-2.6664083,-1.92991686,-1.13613701,-0.28582186,0.62770343,1.60608864,2.65483665,3.7773273,4.97821093,6.26644754,7.64833212,9.13068771,10.73459816,12.44095421,14.24405575,16.21940994,18.3732872,20.55336761,22.8269558,25.17928123,27.64846802,30.553545,33.7844429,37.58986664,41.64205551,45.35582352,48.25470352,51.4834938,54.75815582,58.63263321,53.55106735,45.95193481,36.16864014,24.5282917,10.03189373,6.57584763,8.30749607,9.06361389,4.55215979,0.30411947,-4.08536005,-8.66708565,-13.26843929,-17.48445511,-20.76149559,-23.47916412,-25.9587326,-28.29585457,-30.20829391,-31.86652184,-33.40827179,-34.83199692,-36.09376907,-37.16947174,-38.0626297,-38.75976562,-39.25867844,-39.55693436,-39.65365219,-39.55282211,-39.26144791,-38.78792953,-38.14313889,-37.34242249,-36.39918518],"S^2":[],"force-flip-times":5,"force-total-variation":225.57962159,"force-jump":20.95244384,"energy-diff-flip-times":5,"energy-grad-norm-max":56.9494044861,"energy-jump":0.0800515275,"energy-total-variation":30.1319098967,"tortuosity":6.4133748364,"conservation-deviation":0.029378975,"spearman-descending-force":-1.0,"spearman-ascending-force":0.0205265832,"spearman-repulsion-energy":-0.922431767,"spearman-attraction-energy":null,"pbe-energy-mae":null,"pbe-force-mae":null},{"name":"FF","method":"ANI2x","R":[4.526,4.5159675,4.505935,4.4959025,4.48587,4.4758375,4.465805,4.4557725,4.44574,4.4357075,4.425675,4.4156425,4.40561,4.3955775,4.385545,4.3755125,4.36548,4.3554475,4.345415,4.3353825,4.32535,4.3153175,4.305285,4.2952525,4.28522,4.2751875,4.265155,4.2551225,4.24509,4.2350575,4.225025,4.2149925,4.20496,4.1949275,4.184895,4.1748625,4.16483,4.1547975,4.144765,4.1347325,4.1247,4.1146675,4.104635,4.0946025,4.08457,4.0745375,4.064505,4.0544725,4.04444,4.0344075,4.024375,4.0143425,4.00431,3.9942775,3.984245,3.9742125,3.96418,3.9541475,3.944115,3.9340825,3.92405,3.9140175,3.903985,3.8939525,3.88392,3.8738875,3.863855,3.8538225,3.84379,3.8337575,3.823725,3.8136925,3.80366,3.7936275,3.783595,3.7735625,3.76353,3.7534975,3.743465,3.7334325,3.7234,3.7133675,3.703335,3.6933025,3.68327,3.6732375,3.663205,3.6531725,3.64314,3.6331075,3.623075,3.6130425,3.60301,3.5929775,3.582945,3.5729125,3.56288,3.5528475,3.542815,3.5327825,3.52275,3.5127175,3.502685,3.4926525,3.48262,3.4725875,3.462555,3.4525225,3.44249,3.4324575,3.422425,3.4123925,3.40236,3.3923275,3.382295,3.3722625,3.36223,3.3521975,3.342165,3.3321325,3.3221,3.3120675,3.302035,3.2920025,3.28197,3.2719375,3.261905,3.2518725,3.24184,3.2318075,3.221775,3.2117425,3.20171,3.1916775,3.181645,3.1716125,3.16158,3.1515475,3.141515,3.1314825,3.12145,3.1114175,3.101385,3.0913525,3.08132,3.0712875,3.061255,3.0512225,3.04119,3.0311575,3.021125,3.0110925,3.00106,2.9910275,2.980995,2.9709625,2.96093,2.9508975,2.940865,2.9308325,2.9208,2.9107675,2.900735,2.8907025,2.88067,2.8706375,2.860605,2.8505725,2.84054,2.8305075,2.820475,2.8104425,2.80041,2.7903775,2.780345,2.7703125,2.76028,2.7502475,2.740215,2.7301825,2.72015,2.7101175,2.700085,2.6900525,2.68002,2.6699875,2.659955,2.6499225,2.63989,2.6298575,2.619825,2.6097925,2.59976,2.5897275,2.579695,2.5696625,2.55963,2.5495975,2.539565,2.5295325,2.5195,2.5094675,2.499435,2.4894025,2.47937,2.4693375,2.459305,2.4492725,2.43924,2.4292075,2.419175,2.4091425,2.39911,2.3890775,2.379045,2.3690125,2.35898,2.3489475,2.338915,2.3288825,2.31885,2.3088175,2.298785,2.2887525,2.27872,2.2686875,2.258655,2.2486225,2.23859,2.2285575,2.218525,2.2084925,2.19846,2.1884275,2.178395,2.1683625,2.15833,2.1482975,2.138265,2.1282325,2.1182,2.1081675,2.098135,2.0881025,2.07807,2.0680375,2.058005,2.0479725,2.03794,2.0279075,2.017875,2.0078425,1.99781,1.9877775,1.977745,1.9677125,1.95768,1.9476475,1.937615,1.9275825,1.91755,1.9075175,1.897485,1.8874525,1.87742,1.8673875,1.857355,1.8473225,1.83729,1.8272575,1.817225,1.8071925,1.79716,1.7871275,1.777095,1.7670625,1.75703,1.7469975,1.736965,1.7269325,1.7169,1.7068675,1.696835,1.6868025,1.67677,1.6667375,1.656705,1.6466725,1.63664,1.6266075,1.616575,1.6065425,1.59651,1.5864775,1.576445,1.5664125,1.55638,1.5463475,1.536315,1.5262825,1.51625,1.5062175,1.496185,1.4861525,1.47612,1.4660875,1.456055,1.4460225,1.43599,1.4259575,1.415925,1.4058925,1.39586,1.3858275,1.375795,1.3657625,1.35573,1.3456975,1.335665,1.3256325,1.3156,1.3055675,1.295535,1.2855025,1.27547,1.2654375,1.255405,1.2453725,1.23534,1.2253075,1.215275,1.2052425,1.19521,1.1851775,1.175145,1.1651125,1.15508,1.1450475,1.135015,1.1249825,1.11495,1.1049175,1.094885,1.0848525,1.07482,1.0647875,1.054755,1.0447225,1.03469,1.0246575,1.014625,1.0045925,0.99456,0.9845275,0.974495,0.9644625,0.95443,0.9443975,0.934365,0.9243325,0.9143,0.9042675,0.894235,0.8842025,0.87417,0.8641375,0.854105,0.8440725,0.83404,0.8240075,0.813975,0.8039425,0.79391,0.7838775,0.773845,0.7638125,0.75378,0.7437475,0.733715,0.7236825,0.71365,0.7036175,0.693585,0.6835525,0.67352,0.6634875,0.653455,0.6434225,0.63339,0.6233575,0.613325,0.6032925,0.59326,0.5832275,0.573195,0.5631625,0.55313,0.5430975,0.533065,0.5230325,0.513],"E":[-5431.0316706331,-5431.031158865,-5431.0296266528,-5431.027078862,-5431.0235281641,-5431.0189898152,-5431.0135051745,-5431.0071512833,-5430.9999995064,-5430.9921379345,-5430.9836619572,-5430.9746830818,-5430.9653510829,-5430.9558124913,-5430.9462065898,-5430.9366782366,-5430.927357946,-5430.9183439965,-5430.9097618844,-5430.9017391845,-5430.8943951081,-5430.8878466366,-5430.8821904773,-5430.8775101086,-5430.8738641733,-5430.8712902797,-5430.8697988689,-5430.8693773205,-5430.8699788013,-5430.8715168423,-5430.8738689884,-5430.8768788757,-5430.8803631761,-5430.8840993817,-5430.8878357393,-5430.8912840532,-5430.8941272877,-5430.8960235208,-5430.8966029535,-5430.8954724718,-5430.8922231985,-5430.8864401742,-5430.87767666,-5430.8654911375,-5430.8494607404,-5430.8291668094,-5430.8042165344,-5430.7742482262,-5430.7389312656,-5430.6979698032,-5430.6511228311,-5430.5982313501,-5430.5391844609,-5430.4739286402,-5430.4024734166,-5430.3249175249,-5430.2414206232,-5430.1522575266,-5430.0578439547,-5429.9586193477,-5429.8550322694,-5429.7475527737,-5429.6366727096,-5429.5229273123,-5429.4069357515,-5429.2893234823,-5429.1706681124,-5429.0514921047,-5428.9322372309,-5428.8133112023,-5428.6950594891,-5428.5777091607,-5428.461468229,-5428.3464964536,-5428.2329012871,-5428.1207496337,-5428.0100204087,-5427.900697798,-5427.7927161139,-5427.6859849339,-5427.5804345154,-5427.4759780852,-5427.3725454952,-5427.2700515943,-5427.1684335329,-5427.0676815794,-5426.9677568077,-5426.8687099029,-5426.7705651939,-5426.6734147249,-5426.5773614882,-5426.4825437528,-5426.3891188455,-5426.2972428766,-5426.2071064223,-5426.1188858668,-5426.0327502959,-5425.9488740666,-5425.8673861218,-5425.7884239198,-5425.712072206,-5425.6383991013,-5425.5674390717,-5425.4991783308,-5425.4335921441,-5425.3705998211,-5425.3101068844,-5425.2519803364,-5425.1960616337,-5425.1421893949,-5425.0901527697,-5425.03975956,-5424.9907940498,-5424.9430352518,-5424.8962755596,-5424.8503012846,-5424.804922256,-5424.7599551964,-5424.7152322365,-5424.6706244333,-5424.6259874354,-5424.5812247384,-5424.5362520021,-5424.4910116481,-5424.4454623174,-5424.3995723825,-5424.3533231912,-5424.3066896036,-5424.2596772966,-5424.2122951907,-5424.1645384201,-5424.1163964423,-5424.0678887204,-5424.0190355285,-5423.9698522749,-5423.9202992224,-5423.8703617736,-5423.8200731781,-5423.769515343,-5423.7187547673,-5423.6679057967,-5423.6171054839,-5423.5665111555,-5423.5163125768,-5423.4667068117,-5423.4179282284,-5423.3702217374,-5423.3238549566,-5423.2790022427,-5423.2357949717,-5423.1945080599,-5423.1553612782,-5423.118580885,-5423.0843923279,-5423.0529764517,-5423.0244986926,-5422.9990677196,-5422.976742733,-5422.9575513054,-5422.9415023576,-5422.928561829,-5422.9186023985,-5422.9114837697,-5422.9070510487,-5422.9051160922,-5422.9054485868,-5422.9078563344,-5422.9121357836,-5422.9180801387,-5422.9254923359,-5422.9341899087,-5422.9440057988,-5422.9547105038,-5422.9661312887,-5422.9781659721,-5422.9907504882,-5423.0038475326,-5423.0174019598,-5423.0314218794,-5423.0459332424,-5423.060950646,-5423.076412457,-5423.0923527358,-5423.1088542008,-5423.1259671314,-5423.1437377527,-5423.1622074236,-5423.1813834428,-5423.201252835,-5423.2217482902,-5423.242816285,-5423.2643724792,-5423.2863163134,-5423.3085488503,-5423.3309557442,-5423.3534267041,-5423.3758668474,-5423.398191834,-5423.4203327322,-5423.4422157442,-5423.463780048,-5423.4850507834,-5423.5059995667,-5423.5266280198,-5423.5470010197,-5423.5671680351,-5423.5872134061,-5423.6071460534,-5423.6270827555,-5423.6471589431,-5423.6674638222,-5423.6880395627,-5423.7089851021,-5423.7303669393,-5423.7522321102,-5423.7745992669,-5423.7974594888,-5423.8207998005,-5423.844577221,-5423.8687236294,-5423.8931992885,-5423.9179522969,-5423.9429307528,-5423.9680876205,-5423.9933945162,-5424.0188498181,-5424.0444600138,-5424.0702380788,-5424.0962294269,-5424.122523264,-5424.149315843,-5424.1769688533,-5424.205649353,-5424.2355081813,-5424.2667123963,-5424.2993803986,-5424.3336557287,-5424.3696219155,-5424.4072497645,-5424.446400601,-5424.4866827303,-5424.528058037,-5424.5704932716,-5424.6138465159,-5424.6580780325,-5424.7031164568,-5424.748784188,-5424.794974179,-5424.8415169388,-5424.8882332445,-5424.9348400703,-5424.981101426,-5425.0269341881,-5425.0723132166,-5425.1169891407,-5425.1611046897,-5425.2049692458,-5425.2488467773,-5425.2929854387,-5425.3367656547,-5425.3799741421,-5425.4230180041,-5425.466194864,-5425.5097881531,-5425.5540658946,-5425.5992154208,-5425.6453210717,-5425.692403527,-5425.7405114444,-5425.7896354977,-5425.8396739113,-5425.8905074736,-5425.9419196577,-5425.9936910982,-5426.0456774437,-5426.0978353077,-5426.1500130404,-5426.201987627,-5426.2534330605,-5426.304510317,-5426.3555879791,-5426.4071250514,-5426.4571942815,-5426.5020688914,-5426.5425083474,-5426.5795936624,-5426.6145133022,-5426.6486183301,-5426.6831207296,-5426.7190492066,-5426.757274735,-5426.7971554378,-5426.8377149162,-5426.8784422639,-5426.9192661161,-5426.9600680723,-5427.0010192456,-5427.041979745,-5427.0825923414,-5427.1226538889,-5427.1614795295,-5427.1986293161,-5427.2338336036,-5427.2668628898,-5427.2977228512,-5427.3261912843,-5427.3519567793,-5427.3748794453,-5427.3948599393,-5427.4117316086,-5427.4252430548,-5427.4351968086,-5427.4413580961,-5427.4434791686,-5427.4412749725,-5427.4344430189,-5427.4227156902,-5427.4058063111,-5427.3834107708,-5427.3552144157,-5427.3209054307,-5427.2801618638,-5427.2326090503,-5427.1778496185,-5427.1154890352,-5427.0451311452,-5426.9662938314,-5426.8785180889,-5426.7813716747,-5426.6744219403,-5426.5574949343,-5426.4302289675,-5426.2920685304,-5426.1429150911,-5425.9831696707,-5425.8126112818,-5425.6314471253,-5425.4406608988,-5425.2419750865,-5425.0373822234,-5424.8290045984,-5424.6232342178,-5424.4228616035,-5424.2307259354,-5424.0490330314,-5423.8801476581,-5423.7279867644,-5423.5954389988,-5423.4838911071,-5423.3949244661,-5423.3301999271,-5423.2918681627,-5423.2805000904,-5423.2964947038,-5423.3413417409,-5423.4142951164,-5423.5141294657,-5423.6394677748,-5423.7888600425,-5423.9606835329,-5424.1533114553,-5424.3651097201,-5424.5942771798,-5424.8389725439,-5425.0972393655,-5425.3671439044,-5425.6466214501,-5425.9335825577,-5426.2259211577,-5426.5214354868,-5426.8180604291,-5427.1136586928,-5427.4062304445,-5427.6938500537,-5427.9746798794,-5428.2471117829,-5428.509703062,-5428.7612267304,-5429.0006567177,-5429.227210648,-5429.4403526778,-5429.6397407835,-5429.8252859622,-5429.9971104663,-5430.1554642751,-5430.3007656424,-5430.4335267926,-5430.5543905147,-5430.6640277787,-5430.7631886238,-5430.852613053,-5430.9330367616,-5431.0052067979,-5431.0698306255,-5431.1275833199,-5431.1791057188,-5431.224995451,-5431.265804123,-5431.3020352665,-5431.3341567054,-5431.3625896589],"F":[0.0,0.10197353,0.20350146,0.30414891,0.40342414,0.50072348,0.59126598,0.67441827,0.74973202,0.81595433,0.87223303,0.91510057,0.9428618,0.9564904,0.9561047,0.94115663,0.91588181,0.87901777,0.82963586,0.76780486,0.694157,0.60972458,0.5162884,0.41580641,0.31042653,0.20261413,0.09479326,-0.01005143,-0.10829642,-0.19635996,-0.2699745,-0.32703468,-0.36387351,-0.37689567,-0.36309761,-0.31901354,-0.24217623,-0.12973708,0.02074769,0.21148598,0.44310367,0.71724623,1.03692281,1.39918995,1.8035084,2.24849105,2.73133302,3.24859762,3.79711056,4.37262487,4.96876907,5.57719564,6.19476748,6.81423855,7.42851973,8.03065205,8.61013412,9.15650177,9.65827465,10.11525536,10.52732754,10.89073372,11.20350552,11.46097088,11.65174294,11.78507233,11.8615551,11.89008236,11.87584209,11.82532692,11.74590397,11.64461517,11.52618027,11.39223003,11.25113106,11.1076622,10.96597099,10.82906342,10.6993227,10.5783205,10.46500874,10.35924721,10.26194668,10.17136478,10.08541584,10.00175667,9.91704464,9.82875443,9.73456001,9.63082886,9.51499367,9.38451004,9.23796368,9.07403755,8.89195633,8.69218445,8.47561741,8.24396038,7.99845695,7.74177456,7.47739697,7.20838308,6.93824959,6.66998291,6.40674305,6.15220261,5.90943289,5.68077421,5.46892929,5.27520466,5.1012578,4.9481411,4.81686592,4.70707226,4.61837292,4.54978895,4.49999809,4.46747017,4.44954872,4.445683,4.45404577,4.47130203,4.49509335,4.5247097,4.55623007,4.59164,4.62910271,4.66723442,4.70479012,4.74078369,4.77955484,4.81721067,4.85233212,4.88635159,4.91948986,4.9587326,4.99577713,5.02736378,5.05099297,5.06613827,5.06860638,5.05597687,5.02660275,4.977705,4.90712738,4.81291103,4.69299889,4.5458703,4.39351225,4.21464825,4.01248503,3.78772521,3.54036903,3.27255297,2.98734832,2.68846893,2.38020897,2.06950712,1.75604177,1.4437654,1.13858795,0.84835482,0.57314277,0.3135407,0.07644153,-0.13976431,-0.33671165,-0.51284671,-0.66874909,-0.80587292,-0.92538142,-1.02678585,-1.10506439,-1.17018461,-1.22770596,-1.28037381,-1.32884645,-1.37388682,-1.42176628,-1.47140646,-1.51952171,-1.56365848,-1.61574793,-1.67449307,-1.73773599,-1.80570602,-1.87605691,-1.94663858,-2.0127604,-2.07266903,-2.12596655,-2.16968322,-2.203336,-2.22669578,-2.23824215,-2.23996162,-2.23236227,-2.21692777,-2.19587922,-2.16515827,-2.13422108,-2.10620666,-2.07102633,-2.04222202,-2.01930714,-2.00277972,-1.99136651,-1.98462296,-1.99188149,-2.01286554,-2.03579903,-2.06806254,-2.10837078,-2.15489817,-2.20436549,-2.25428057,-2.30305219,-2.34906673,-2.38976097,-2.42351198,-2.45453882,-2.47960329,-2.49902701,-2.51532793,-2.52978873,-2.54473758,-2.56069851,-2.57896185,-2.6043663,-2.63881254,-2.71047759,-2.80493116,-2.9148531,-3.04081988,-3.18120146,-3.33414125,-3.49950743,-3.67204905,-3.83087683,-3.96071887,-4.06988859,-4.17808247,-4.27741575,-4.36450338,-4.45237303,-4.52247715,-4.57956219,-4.62482595,-4.6526804,-4.65272903,-4.6330471,-4.58934975,-4.54849529,-4.4879837,-4.42071676,-4.3801837,-4.36841106,-4.38316536,-4.40611649,-4.32846975,-4.29185963,-4.2933836,-4.31985235,-4.37504911,-4.455194,-4.54620934,-4.64439297,-4.7432909,-4.84702587,-4.9437871,-5.03053808,-5.1007185,-5.14423561,-5.17302608,-5.19228315,-5.20153379,-5.19807911,-5.15201283,-5.10641098,-5.08143377,-5.11792374,-5.1102109,-4.73869514,-4.2300601,-3.84790993,-3.56636763,-3.4187007,-3.40056181,-3.49529767,-3.68277955,-3.9193399,-4.03996515,-4.04955339,-4.06940794,-4.06915283,-4.07356834,-4.09692955,-4.06909275,-4.02273941,-3.94772243,-3.78894877,-3.61442208,-3.40151429,-3.18635035,-2.96019769,-2.70815325,-2.42774487,-2.13993549,-1.84110916,-1.51783633,-1.17316425,-0.80718976,-0.41697404,-0.00111118,0.44562298,0.92054474,1.42208219,1.95380378,2.51624322,3.1099236,3.73463082,4.39407635,5.09193897,5.83198404,6.60677814,7.42780781,8.29656887,9.20911789,10.16339493,11.15466595,12.16221046,13.21846485,14.33174133,15.39061069,16.45741463,17.54753494,18.56588554,19.43271255,20.11958694,20.65553093,20.69827271,20.28451538,19.61029625,18.66409302,17.51803207,16.0671196,14.21404076,12.18667603,10.02577877,7.6921649,5.15662718,2.47969866,-0.21344239,-3.03289843,-5.89028692,-8.6327486,-11.24667263,-13.71798706,-16.03549576,-18.19138527,-20.18231964,-22.00723839,-23.64803505,-25.09990311,-26.35728836,-27.41419983,-28.26462746,-28.90560532,-29.333395,-29.54717064,-29.54984856,-29.34646034,-28.94545174,-28.35846901,-27.60007668,-26.68775749,-25.64139938,-24.48265076,-23.23454285,-21.91984749,-20.56268311,-19.18528748,-17.80814362,-16.44942093,-15.12511444,-13.84813118,-12.62933445,-11.47624016,-10.39417934,-9.38586044,-8.45230865,-7.59301472,-6.8059082,-6.0880909,-5.43595409,-4.84536695,-4.31196594,-3.83133698,-3.39917135,-3.01117635,-2.6633594],"S^2":[],"force-flip-times":5,"force-total-variation":138.70278696,"force-jump":1.28903212,"energy-diff-flip-times":5,"energy-grad-norm-max":29.5152357841,"energy-jump":0.0420868249,"energy-total-variation":24.9644375299,"tortuosity":75.4397166204,"conservation-deviation":0.007216037,"spearman-descending-force":-1.0,"spearman-ascending-force":0.4349425884,"spearman-repulsion-energy":null,"spearman-attraction-energy":-0.1804869405,"pbe-energy-mae":null,"pbe-force-mae":null},{"name":"SS","method":"ANI2x","R":[5.859,5.84897142,5.83894286,5.82891428,5.81888572,5.80885714,5.79882858,5.7888,5.77877142,5.76874286,5.75871428,5.74868572,5.73865714,5.72862858,5.7186,5.70857142,5.69854286,5.68851428,5.67848572,5.66845714,5.65842858,5.6484,5.63837142,5.62834286,5.61831428,5.60828572,5.59825714,5.58822858,5.5782,5.56817142,5.55814286,5.54811428,5.53808572,5.52805714,5.51802858,5.508,5.49797142,5.48794286,5.47791428,5.46788572,5.45785714,5.44782858,5.4378,5.42777142,5.41774286,5.40771428,5.39768572,5.38765714,5.37762858,5.3676,5.35757142,5.34754286,5.33751428,5.32748572,5.31745714,5.30742858,5.2974,5.28737142,5.27734286,5.26731428,5.25728572,5.24725714,5.23722858,5.2272,5.21717142,5.20714286,5.19711428,5.18708572,5.17705714,5.16702858,5.157,5.14697142,5.13694286,5.12691428,5.11688572,5.10685714,5.09682858,5.0868,5.07677142,5.06674286,5.05671428,5.04668572,5.03665714,5.02662858,5.0166,5.00657142,4.99654286,4.98651428,4.97648572,4.96645714,4.95642858,4.9464,4.93637142,4.92634286,4.91631428,4.90628572,4.89625714,4.88622858,4.8762,4.86617142,4.85614286,4.84611428,4.83608572,4.82605714,4.81602858,4.806,4.79597142,4.78594286,4.77591428,4.76588572,4.75585714,4.74582858,4.7358,4.72577142,4.71574286,4.70571428,4.69568572,4.68565714,4.67562858,4.6656,4.65557142,4.64554286,4.63551428,4.62548572,4.61545714,4.60542858,4.5954,4.58537142,4.57534286,4.56531428,4.55528572,4.54525714,4.53522858,4.5252,4.51517142,4.50514286,4.49511428,4.48508572,4.47505714,4.46502858,4.455,4.44497142,4.43494286,4.42491428,4.41488572,4.40485714,4.39482858,4.3848,4.37477142,4.36474286,4.35471428,4.34468572,4.33465714,4.32462858,4.3146,4.30457142,4.29454286,4.28451428,4.27448572,4.26445714,4.25442858,4.2444,4.23437142,4.22434286,4.21431428,4.20428572,4.19425714,4.18422858,4.1742,4.16417142,4.15414286,4.14411428,4.13408572,4.12405714,4.11402858,4.104,4.09397142,4.08394286,4.07391428,4.06388572,4.05385714,4.04382858,4.0338,4.02377142,4.01374286,4.00371428,3.99368572,3.98365714,3.97362858,3.9636,3.95357142,3.94354286,3.93351428,3.92348572,3.91345714,3.90342858,3.8934,3.88337142,3.87334286,3.86331428,3.85328572,3.84325714,3.83322858,3.8232,3.81317142,3.80314286,3.79311428,3.78308572,3.77305714,3.76302858,3.753,3.74297142,3.73294286,3.72291428,3.71288572,3.70285714,3.69282858,3.6828,3.67277142,3.66274286,3.65271428,3.64268572,3.63265714,3.62262858,3.6126,3.60257142,3.59254286,3.58251428,3.57248572,3.56245714,3.55242858,3.5424,3.53237142,3.52234286,3.51231428,3.50228572,3.49225714,3.48222858,3.4722,3.46217142,3.45214286,3.44211428,3.43208572,3.42205714,3.41202858,3.402,3.39197142,3.38194286,3.37191428,3.36188572,3.35185714,3.34182858,3.3318,3.32177142,3.31174286,3.30171428,3.29168572,3.28165714,3.27162858,3.2616,3.25157142,3.24154286,3.23151428,3.22148572,3.21145714,3.20142858,3.1914,3.18137142,3.17134286,3.16131428,3.15128572,3.14125714,3.13122858,3.1212,3.11117142,3.10114286,3.09111428,3.08108572,3.07105714,3.06102858,3.051,3.04097142,3.03094286,3.02091428,3.01088572,3.00085714,2.99082858,2.9808,2.97077142,2.96074286,2.95071428,2.94068572,2.93065714,2.92062858,2.9106,2.90057142,2.89054286,2.88051428,2.87048572,2.86045714,2.85042858,2.8404,2.83037142,2.82034286,2.81031428,2.80028572,2.79025714,2.78022858,2.7702,2.76017142,2.75014286,2.74011428,2.73008572,2.72005714,2.71002858,2.7,2.68997142,2.67994286,2.66991428,2.65988572,2.64985714,2.63982858,2.6298,2.61977142,2.60974286,2.59971428,2.58968572,2.57965714,2.56962858,2.5596,2.54957142,2.53954286,2.52951428,2.51948572,2.50945714,2.49942858,2.4894,2.47937142,2.46934286,2.45931428,2.44928572,2.43925714,2.42922858,2.4192,2.40917142,2.39914286,2.38911428,2.37908572,2.36905714,2.35902858,2.349,2.33897142,2.32894286,2.31891428,2.30888572,2.29885714,2.28882858,2.2788,2.26877142,2.25874286,2.24871428,2.23868572,2.22865714,2.21862858,2.2086,2.19857142,2.18854286,2.17851428,2.16848572,2.15845714,2.14842858,2.1384,2.12837142,2.11834286,2.10831428,2.09828572,2.08825714,2.07822858,2.0682,2.05817142,2.04814286,2.03811428,2.02808572,2.01805714,2.00802858,1.998,1.98797142,1.97794286,1.96791428,1.95788572,1.94785714,1.93782858,1.9278,1.91777142,1.90774286,1.89771428,1.88768572,1.87765714,1.86762858,1.8576,1.84757142,1.83754286,1.82751428,1.81748572,1.80745714,1.79742858,1.7874,1.77737142,1.76734286,1.75731428,1.74728572,1.73725714,1.72722858,1.7172,1.70717142,1.69714286,1.68711428,1.67708572,1.66705714,1.65702858,1.647,1.63697142,1.62694286,1.61691428,1.60688572,1.59685714,1.58682858,1.5768,1.56677142,1.55674286,1.54671428,1.53668572,1.52665714,1.51662858,1.5066,1.49657142,1.48654286,1.47651428,1.46648572,1.45645714,1.44642858,1.4364,1.42637142,1.41634286,1.40631428,1.39628572,1.38625714,1.37622858,1.3662,1.35617142,1.34614286,1.33611428,1.32608572,1.31605714,1.30602858,1.296,1.28597142,1.27594286,1.26591428,1.25588572,1.24585714,1.23582858,1.2258,1.21577142,1.20574286,1.19571428,1.18568572,1.17565714,1.16562858,1.1556,1.14557142,1.13554286,1.12551428,1.11548572,1.10545714,1.09542858,1.0854,1.07537142,1.06534286,1.05531428,1.04528572,1.03525714,1.02522858,1.0152,1.00517142,0.99514286,0.98511428,0.97508572,0.96505714,0.95502858,0.945],"E":[-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.827823928,-21668.8278242321,-21668.8278307435,-21668.8278463007,-21668.8278740508,-21668.8279165139,-21668.8279760753,-21668.8280559108,-21668.8281585926,-21668.828287043,-21668.8284427795,-21668.8286283426,-21668.8288450327,-21668.8290928974,-21668.8293717671,-21668.8296795907,-21668.8300135647,-21668.8303695583,-21668.8307413687,-21668.83112149,-21668.8315001667,-21668.8318664747,-21668.8322074242,-21668.8325079428,-21668.8327510494,-21668.832919199,-21668.8329920985,-21668.8329496735,-21668.8327699756,-21668.8324310186,-21668.831910463,-21668.8311863274,-21668.8302370673,-21668.8290408675,-21668.8275787401,-21668.8258333382,-21668.8237891694,-21668.8214342721,-21668.8187596005,-21668.8157591438,-21668.8124307447,-21668.8087758095,-21668.8048012348,-21668.8005148609,-21668.7959320452,-21668.7910702269,-21668.7859503102,-21668.7805958732,-21668.7750327529,-21668.7692898902,-21668.7633932299,-21668.7573729294,-21668.7512612879,-21668.7450905285,-21668.7388917339,-21668.732691026,-21668.7265155845,-21668.7203868875,-21668.7143255511,-21668.7083490489,-21668.7024711547,-21668.6967045524,-21668.6910584287,-21668.6855425279,-21668.6801613229,-21668.674917576,-21668.6698125924,-21668.6648451304,-21668.6600141,-21668.6553155227,-21668.6507456476,-21668.646300116,-21668.6419790036,-21668.6377843001,-21668.6337125841,-21668.629760992,-21668.625925038,-21668.6222024667,-21668.6185872719,-21668.6150766912,-21668.6116638569,-21668.6083437258,-21668.6051097087,-21668.6019557235,-21668.5988786277,-21668.5958707931,-21668.5929269485,-21668.5900390604,-21668.5871986389,-21668.5843965607,-21668.581625806,-21668.5788847527,-21668.576170816,-21668.5734813856,-21668.5708089347,-21668.5681511826,-21668.5655083571,-21668.5628805599,-21668.5602730113,-21668.5576931622,-21668.5551511496,-21668.5526610639,-21668.550238136,-21668.5478944544,-21668.5456438814,-21668.5434985561,-21668.5414751794,-21668.5395861943,-21668.5378378098,-21668.5362389719,-21668.5347926963,-21668.533500529,-21668.5323599862,-21668.5313660503,-21668.5305143369,-21668.5297968125,-21668.5292017181,-21668.5287171934,-21668.5283293759,-21668.5280199937,-21668.5277697611,-21668.5275606341,-21668.5273772299,-21668.5271961572,-21668.5269895391,-21668.5267363161,-21668.5264076229,-21668.5259845285,-21668.5254480261,-21668.5247824033,-21668.5239683744,-21668.5229863495,-21668.5218129374,-21668.5204411183,-21668.5188572832,-21668.5170488368,-21668.5150021702,-21668.5127024327,-21668.5101397405,-21668.507309304,-21668.5041895059,-21668.5007600975,-21668.4970086357,-21668.4929311669,-21668.4885137275,-21668.4837435447,-21668.4786046021,-21668.4730855207,-21668.4671800665,-21668.4608801043,-21668.4541688828,-21668.4470218703,-21668.4394167146,-21668.4313545816,-21668.4228398302,-21668.4138646041,-21668.404409643,-21668.3944644551,-21668.3840151019,-21668.3730365451,-21668.3615049624,-21668.3493763087,-21668.3365947794,-21668.323089162,-21668.3087813506,-21668.2935751449,-21668.2773563004,-21668.2599943029,-21668.2413398846,-21668.2212761148,-21668.1996681204,-21668.1763446869,-21668.1511185326,-21668.1238022745,-21668.0941947433,-21668.062096138,-21668.0273063029,-21667.9896104851,-21667.9487508492,-21667.9044809133,-21667.856512076,-21667.8045821937,-21667.7483902981,-21667.687627615,-21667.6219747267,-21667.5511346182,-21667.4748204114,-21667.3927508038,-21667.3046753093,-21667.2105691935,-21667.1104091413,-21667.0040593164,-21666.8915275244,-21666.7728316065,-21666.6482207309,-21666.5181232884,-21666.3829571276,-21666.2431810505,-21666.0993284676,-21665.9519664445,-21665.8018321461,-21665.6496978115,-21665.4964451596,-21665.3429924026,-21665.1902877586,-21665.0393060044,-21664.8910275937,-21664.7464735283,-21664.6066546729,-21664.4725652675,-21664.3450985874,-21664.2250947897,-21664.113233461,-21664.0101739137,-21663.9164359749,-21663.8324579698,-21663.7584803487,-21663.6947050414,-21663.6411551602,-21663.5977771816,-21663.5644149953,-21663.5407498932,-21663.5263601746,-21663.5207515579,-21663.5233498818,-21663.5334840747,-21663.5503480398,-21663.5730647213,-21663.6008624884,-21663.6329826856,-21663.6687096385,-21663.7073807907,-21663.7483206105,-21663.7909723722,-21663.8348482818,-21663.8795886773,-21663.9249032344,-21663.9705462312,-21664.0163108724,-21664.0620345601,-21664.1076414691,-21664.1531356543,-21664.1985045458,-21664.2437412505,-21664.2889463275,-21664.3341805993,-21664.3795503018,-21664.4251588327,-21664.4710690417,-21664.5172172682,-21664.5630467864,-21664.6086711311,-21664.6543404842,-21664.7003654444,-21664.7469268563,-21664.793956599,-21664.8414810289,-21664.8896517958,-21664.9383500939,-21664.9872539709,-21665.0362831417,-21665.0855150531,-21665.1346257256,-21665.1837076089,-21665.2328430157,-21665.2821089875,-21665.3314491624,-21665.3806790464,-21665.4298882508,-21665.4791558446,-21665.528536973,-21665.5781585519,-21665.6281681763,-21665.6787146579,-21665.7299287644,-21665.7817117611,-21665.8333167515,-21665.8849306624,-21665.9369831014,-21665.9894450764,-21666.0421284442,-21666.0951889095,-21666.149020803,-21666.2035375542,-21666.2587786977,-21666.3158033505,-21666.3752361564,-21666.4375851835,-21666.5021588834,-21666.5681738664,-21666.6355382911,-21666.7004373897,-21666.7625210293,-21666.8221296113,-21666.8796432745,-21666.9349397662,-21666.988255482,-21667.0398511463,-21667.0898690831,-21667.1380568803,-21667.1845349657,-21667.229656311,-21667.273608451,-21667.3163077553,-21667.3576239631,-21667.3975717731,-21667.4359557433,-21667.4726157085,-21667.5075331181,-21667.5405943359,-21667.5716433529,-21667.6005544701,-21667.6272179034,-21667.6514921398,-21667.6732681048,-21667.6924185787,-21667.7088661146,-21667.7225135998,-21667.7332506419,-21667.7409026813,-21667.7452568403,-21667.7461311593,-21667.7433785498,-21667.7368275948,-21667.726237641,-21667.7114391973,-21667.6922272929,-21667.6683839818,-21667.6397126054,-21667.6060242094,-21667.5671458563,-21667.5231104912,-21667.4739024019,-21667.4197447043,-21667.3607843854,-21667.2966152544,-21667.2268292957,-21667.1508456575,-21667.0675353786,-21666.9758730983,-21666.8763607011,-21666.7677537648,-21666.647785244,-21666.5139342616,-21666.3662289987,-21666.2085415983,-21666.039770368,-21665.8640970358,-21665.6821136045,-21665.492322429,-21665.2930638745,-21665.0820583254,-21664.8574395544,-21664.617896235,-21664.3612063301,-21664.0859174057,-21663.7922236873,-21663.4809442472,-21663.1503833628,-21662.7991968636,-21662.4295459647,-21662.0464014609,-21661.649524118,-21661.2385672498,-21660.8206190738,-21660.4012646889,-21659.9859124039,-21659.579381769,-21659.1888100651,-21658.8184734974,-21658.4729596809,-21658.1515582124,-21657.8561091657,-21657.5896382421,-21657.3538387311,-21657.1494469867,-21656.9763219015,-21656.8339460813,-21656.7218807955,-21656.6396856914,-21656.589504143,-21656.5715032084,-21656.585588816,-21656.6321510388,-21656.709651481,-21656.816285751,-21656.9500807769,-21657.1086369209,-21657.2898927161,-21657.4922635419,-21657.7137130715,-21657.9521579422,-21658.205801872,-21658.4728396585,-21658.7513509423,-21659.0399368134,-21659.3370191385,-21659.6414204001,-21659.9519606479,-21660.2678402728,-21660.5880058345,-21660.9097462853,-21661.2307471384,-21661.5501958092,-21661.8674070345,-21662.1818946423,-21662.4930662244,-21662.8005463052,-21663.1038458743,-21663.4023311645,-21663.6955472259,-21663.9829953165,-21664.2643056375,-21664.5389640386,-21664.8065143533,-21665.0664870345],"F":[0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-0.00021905,-0.00105502,-0.00212565,-0.00345033,-0.00504367,-0.0069132,-0.00905997,-0.01147349,-0.01413265,-0.01700341,-0.02003607,-0.02315882,-0.02628158,-0.02928119,-0.0320588,-0.03447895,-0.0363944,-0.0376289,-0.03801108,-0.03736115,-0.03549048,-0.03222562,-0.02739464,-0.02082832,-0.01235387,-0.00187163,0.01071826,0.02548659,0.04247642,0.06168357,0.08306676,0.10663746,0.13222779,0.15965635,0.18871193,0.21913795,0.25063929,0.28288129,0.31553721,0.34823829,0.38054121,0.4120602,0.44244415,0.47121459,0.49803481,0.52263641,0.54476231,0.56418175,0.58081311,0.59462303,0.60545474,0.61285996,0.61719024,0.61865026,0.61746091,0.61384714,0.60805488,0.60041595,0.59126925,0.58072525,0.56915534,0.55665749,0.54336327,0.52974999,0.51598972,0.50214988,0.48848808,0.47500604,0.46208066,0.44942966,0.43712267,0.4245697,0.41208607,0.39994365,0.38820845,0.37683591,0.36578184,0.3551529,0.34508032,0.33559662,0.32668215,0.31840593,0.31054467,0.30328262,0.29662704,0.29064089,0.28542626,0.28113317,0.27784801,0.27476233,0.27193415,0.26931018,0.26727659,0.26572371,0.26426637,0.26281846,0.26115388,0.25879028,0.25554499,0.25114834,0.24516934,0.23787941,0.22927988,0.21931554,0.20830634,0.19518185,0.18144321,0.16700664,0.15186256,0.13651979,0.12122717,0.10631573,0.09194487,0.07808837,0.06527576,0.05357996,0.04322034,0.0344401,0.02761897,0.02257207,0.01937863,0.01772213,0.01890391,0.02252063,0.02866814,0.03716812,0.04756507,0.05964959,0.07350588,0.08896652,0.10720932,0.12691903,0.14709833,0.16895495,0.19192018,0.21655054,0.24221839,0.26865953,0.29621834,0.32626104,0.35787833,0.39021468,0.42326623,0.45784113,0.49375084,0.53136587,0.56950223,0.60824585,0.64836919,0.6904577,0.7353847,0.78148866,0.82632387,0.8718338,0.91872615,0.96690911,1.0166055,1.06793618,1.12172663,1.17875624,1.24096918,1.3092978,1.38515031,1.46994758,1.56474876,1.67179608,1.79321575,1.92894387,2.07480001,2.23715687,2.41734982,2.61659622,2.83460212,3.07305956,3.33157396,3.60994887,3.91209936,4.23998308,4.59437466,4.97569132,5.38566542,5.8261385,6.29761982,6.79975891,7.33208752,7.8923645,8.47937679,9.0840807,9.68400764,10.29496479,10.91292953,11.52922153,12.13795662,12.70583916,13.23150635,13.71659184,14.15157986,14.52754879,14.84610748,15.08375549,15.24075031,15.30738926,15.2806654,15.1577549,14.93642044,14.61610413,14.19624519,13.67229462,13.05478859,12.35072899,11.57168198,10.7254734,9.81936836,8.8663826,7.87926483,6.86922646,5.84937477,4.83131218,3.82199669,2.83686495,1.88964534,0.98906708,0.13858414,-0.64602089,-1.36300421,-1.98622656,-2.53098893,-3.0000186,-3.39396858,-3.72029924,-3.97938919,-4.17649841,-4.32151556,-4.42241096,-4.49493122,-4.53859282,-4.56041431,-4.56328297,-4.55425692,-4.54234934,-4.53026295,-4.5162096,-4.50781155,-4.50827217,-4.51456785,-4.53509855,-4.56214571,-4.59633112,-4.58638,-4.55550575,-4.54746532,-4.56731319,-4.61490393,-4.6668849,-4.7112999,-4.76954746,-4.83287716,-4.87360144,-4.87747288,-4.90224695,-4.90400219,-4.8933754,-4.89537334,-4.90574884,-4.92000914,-4.9133482,-4.90505123,-4.91018248,-4.91613102,-4.93394041,-4.96457529,-5.01156092,-5.07038021,-5.14059496,-5.16758728,-5.13664913,-5.16133451,-5.21883869,-5.24247599,-5.2694521,-5.31295824,-5.42366505,-5.4558959,-5.58487749,-5.79672241,-6.0638566,-6.35115337,-6.48867655,-6.77255297,-6.58496571,-6.33589029,-6.05726624,-5.83739853,-5.6219306,-5.41044521,-5.22751617,-5.06479263,-4.90304756,-4.71211767,-4.56184292,-4.4384551,-4.32629395,-4.18873215,-4.05143642,-3.91129589,-3.74287415,-3.56883693,-3.39305258,-3.19797468,-2.99144912,-2.77323675,-2.54137707,-2.29781795,-2.042207,-1.77628565,-1.50207841,-1.21811092,-0.92058265,-0.60201776,-0.26306829,0.09212312,0.46013781,0.85067284,1.26325989,1.69155455,2.14294147,2.61488104,3.1070416,3.61442804,4.13547087,4.65194082,5.15891981,5.63536072,6.13053179,6.67452145,7.25450611,7.91713619,8.73552132,9.50915527,10.3503437,11.35054207,12.62651634,14.05533028,15.24269009,16.25131416,17.26210403,17.80043411,18.51496887,19.36372948,20.41543961,21.69194031,23.11802864,24.6932869,26.51581192,28.38690758,30.15626144,31.98651695,33.96611023,36.04613495,37.5636673,38.84537125,40.3609581,41.41243744,41.86935425,41.67378616,41.08776855,39.84320068,38.00234222,35.75857544,33.2064209,30.83950806,28.05418968,25.06031036,21.94731522,18.81399536,15.72402382,12.67723656,9.68384552,6.64691544,3.37762451,0.23400116,-3.04492688,-6.21513653,-9.21054268,-12.02339363,-14.61459541,-16.97293091,-19.14997292,-21.16853905,-22.95945549,-24.56472969,-25.99038315,-27.22711754,-28.29862213,-29.22153854,-30.00792694,-30.67935562,-31.24086189,-31.73120117,-32.0862236,-32.0594902,-31.94381332,-31.75240707,-31.50385666,-31.19762421,-30.85466003,-30.4611187,-30.01272202,-29.50845909,-28.95701218,-28.36524391,-27.72746086,-27.04046631,-26.30865288,-25.53418541],"S^2":[],"force-flip-times":4,"force-total-variation":168.13645331,"force-jump":1.87127541,"energy-diff-flip-times":3,"energy-grad-norm-max":41.7458602614,"energy-jump":0.0474002512,"energy-total-variation":29.2124000895,"tortuosity":7.7452096914,"conservation-deviation":0.0081374024,"spearman-descending-force":-1.0,"spearman-ascending-force":-0.0645667006,"spearman-repulsion-energy":-0.8578458261,"spearman-attraction-energy":0.7576055835,"pbe-energy-mae":null,"pbe-force-mae":null},{"name":"ClCl","method":"ANI2x","R":[5.642,5.63197028,5.62194056,5.61191082,5.6018811,5.59185138,5.58182166,5.57179194,5.5617622,5.55173248,5.54170276,5.53167304,5.52164332,5.51161358,5.50158386,5.49155414,5.48152442,5.4714947,5.46146496,5.45143524,5.44140552,5.4313758,5.42134608,5.41131634,5.40128662,5.3912569,5.38122718,5.37119746,5.36116772,5.351138,5.34110828,5.33107856,5.32104884,5.3110191,5.30098938,5.29095966,5.28092994,5.27090022,5.26087048,5.25084076,5.24081104,5.23078132,5.2207516,5.21072186,5.20069214,5.19066242,5.1806327,5.17060298,5.16057324,5.15054352,5.1405138,5.13048408,5.12045436,5.11042462,5.1003949,5.09036518,5.08033546,5.07030574,5.060276,5.05024628,5.04021656,5.03018684,5.02015712,5.01012738,5.00009766,4.99006794,4.98003822,4.9700085,4.95997876,4.94994904,4.93991932,4.9298896,4.91985988,4.90983014,4.89980042,4.8897707,4.87974098,4.86971126,4.85968152,4.8496518,4.83962208,4.82959236,4.81956264,4.8095329,4.79950318,4.78947346,4.77944374,4.76941402,4.75938428,4.74935456,4.73932484,4.72929512,4.7192654,4.70923566,4.69920594,4.68917622,4.6791465,4.66911678,4.65908704,4.64905732,4.6390276,4.62899788,4.61896816,4.60893842,4.5989087,4.58887898,4.57884926,4.56881954,4.5587898,4.54876008,4.53873036,4.52870064,4.51867092,4.50864118,4.49861146,4.48858174,4.47855202,4.4685223,4.45849256,4.44846284,4.43843312,4.4284034,4.41837368,4.40834394,4.39831422,4.3882845,4.37825478,4.36822506,4.35819532,4.3481656,4.33813588,4.32810616,4.31807644,4.3080467,4.29801698,4.28798726,4.27795754,4.26792782,4.25789808,4.24786836,4.23783864,4.22780892,4.2177792,4.20774946,4.19771974,4.18769002,4.1776603,4.16763058,4.15760084,4.14757112,4.1375414,4.12751168,4.11748196,4.10745222,4.0974225,4.08739278,4.07736306,4.06733334,4.0573036,4.04727388,4.03724416,4.02721444,4.01718472,4.00715498,3.99712526,3.98709554,3.97706582,3.9670361,3.95700636,3.94697664,3.93694692,3.9269172,3.91688748,3.90685774,3.89682802,3.8867983,3.87676858,3.86673886,3.85670912,3.8466794,3.83664968,3.82661996,3.81659024,3.8065605,3.79653078,3.78650106,3.77647134,3.76644162,3.75641188,3.74638216,3.73635244,3.72632272,3.716293,3.70626326,3.69623354,3.68620382,3.6761741,3.66614438,3.65611464,3.64608492,3.6360552,3.62602548,3.61599576,3.60596602,3.5959363,3.58590658,3.57587686,3.56584714,3.5558174,3.54578768,3.53575796,3.52572824,3.51569852,3.50566878,3.49563906,3.48560934,3.47557962,3.4655499,3.45552016,3.44549044,3.43546072,3.425431,3.41540128,3.40537154,3.39534182,3.3853121,3.37528238,3.36525266,3.35522292,3.3451932,3.33516348,3.32513376,3.31510404,3.3050743,3.29504458,3.28501486,3.27498514,3.26495542,3.2549257,3.24489596,3.23486624,3.22483652,3.2148068,3.20477708,3.19474734,3.18471762,3.1746879,3.16465818,3.15462846,3.14459872,3.134569,3.12453928,3.11450956,3.10447984,3.0944501,3.08442038,3.07439066,3.06436094,3.05433122,3.04430148,3.03427176,3.02424204,3.01421232,3.0041826,2.99415286,2.98412314,2.97409342,2.9640637,2.95403398,2.94400424,2.93397452,2.9239448,2.91391508,2.90388536,2.89385562,2.8838259,2.87379618,2.86376646,2.85373674,2.843707,2.83367728,2.82364756,2.81361784,2.80358812,2.79355838,2.78352866,2.77349894,2.76346922,2.7534395,2.74340976,2.73338004,2.72335032,2.7133206,2.70329088,2.69326114,2.68323142,2.6732017,2.66317198,2.65314226,2.64311252,2.6330828,2.62305308,2.61302336,2.60299364,2.5929639,2.58293418,2.57290446,2.56287474,2.55284502,2.54281528,2.53278556,2.52275584,2.51272612,2.5026964,2.49266666,2.48263694,2.47260722,2.4625775,2.45254778,2.44251804,2.43248832,2.4224586,2.41242888,2.40239916,2.39236942,2.3823397,2.37230998,2.36228026,2.35225054,2.3422208,2.33219108,2.32216136,2.31213164,2.30210192,2.29207218,2.28204246,2.27201274,2.26198302,2.2519533,2.24192356,2.23189384,2.22186412,2.2118344,2.20180468,2.19177494,2.18174522,2.1717155,2.16168578,2.15165606,2.14162632,2.1315966,2.12156688,2.11153716,2.10150744,2.0914777,2.08144798,2.07141826,2.06138854,2.05135882,2.04132908,2.03129936,2.02126964,2.01123992,2.0012102,1.99118046,1.98115074,1.97112102,1.9610913,1.95106158,1.94103184,1.93100212,1.9209724,1.91094268,1.90091296,1.89088322,1.8808535,1.87082378,1.86079406,1.85076434,1.8407346,1.83070488,1.82067516,1.81064544,1.80061572,1.79058598,1.78055626,1.77052654,1.76049682,1.7504671,1.74043736,1.73040764,1.72037792,1.7103482,1.70031848,1.69028874,1.68025902,1.6702293,1.66019958,1.65016986,1.64014012,1.6301104,1.62008068,1.61005096,1.60002124,1.5899915,1.57996178,1.56993206,1.55990234,1.54987262,1.53984288,1.52981316,1.51978344,1.50975372,1.499724,1.48969426,1.47966454,1.46963482,1.4596051,1.44957538,1.43954564,1.42951592,1.4194862,1.40945648,1.39942676,1.38939702,1.3793673,1.36933758,1.35930786,1.34927814,1.3392484,1.32921868,1.31918896,1.30915924,1.29912952,1.28909978,1.27907006,1.26904034,1.25901062,1.2489809,1.23895116,1.22892144,1.21889172,1.208862,1.19883228,1.18880254,1.17877282,1.1687431,1.15871338,1.14868366,1.13865392,1.1286242,1.11859448,1.10856476,1.09853504,1.0885053,1.07847558,1.06844586,1.05841614,1.04838642,1.03835668,1.02832696,1.01829724,1.00826752,0.9982378,0.98820806,0.97817834,0.96814862,0.9581189,0.94808918,0.93805944,0.92802972,0.918],"E":[-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.5408587881,-25043.540737866,-25043.5402994584,-25043.5394548853,-25043.5381011608,-25043.5361296476,-25043.5334211469,-25043.5298535011,-25043.5253001938,-25043.5196342142,-25043.512728311,-25043.5044630319,-25043.4947229415,-25043.4834108129,-25043.4704369208,-25043.4557385043,-25043.4392640165,-25043.4209906366,-25043.400923623,-25043.3790928673,-25043.3555527294,-25043.3303908692,-25043.3037223167,-25043.2756854171,-25043.2464384347,-25043.2161645711,-25043.1850611688,-25043.1533333254,-25043.1212026871,-25043.0888769616,-25043.0565702431,-25043.02447772,-25042.992793922,-25042.9616632512,-25042.9312337587,-25042.9016060041,-25042.8728573835,-25042.8450123779,-25042.818076664,-25042.7919968196,-25042.7666925595,-25042.7420403132,-25042.7178737321,-25042.6939852098,-25042.670147474,-25042.6460840879,-25042.6215056392,-25042.5960938252,-25042.5695231458,-25042.5414435692,-25042.5115118557,-25042.4793761489,-25042.4446970609,-25042.4071470644,-25042.3664149523,-25042.3222135427,-25042.2743002563,-25042.2224588703,-25042.1665303347,-25042.1063824626,-25042.0419609195,-25041.9732649958,-25041.9003447685,-25041.8233355669,-25041.7424152958,-25041.6578381922,-25041.5699221531,-25041.4790355585,-25041.3855865251,-25041.2900715647,-25041.1929898247,-25041.0948846501,-25040.9963081036,-25040.897877733,-25040.8001255298,-25040.7036439022,-25040.6089790332,-25040.5166511555,-25040.4271460354,-25040.3408890229,-25040.258252147,-25040.1795822969,-25040.1051399943,-25040.0351214922,-25039.9696601938,-25039.9088448996,-25039.852685341,-25039.8011397536,-25039.7540950081,-25039.7114116189,-25039.672894955,-25039.6383122702,-25039.6074073003,-25039.579895803,-25039.5554756948,-25039.5338311057,-25039.5146583303,-25039.4976427152,-25039.4825040727,-25039.4689557277,-25039.4567458763,-25039.4456437997,-25039.4354293216,-25039.4259033506,-25039.4169008559,-25039.4082758642,-25039.3999099751,-25039.3917054675,-25039.3835784068,-25039.3754683763,-25039.3673206361,-25039.359116534,-25039.3508524206,-25039.3425064001,-25039.3340760394,-25039.3255544455,-25039.316937158,-25039.3082282317,-25039.2994309105,-25039.2905565479,-25039.2816043328,-25039.2725616955,-25039.2634278249,-25039.2541925839,-25039.2448498905,-25039.2353936623,-25039.2258024088,-25039.2160704533,-25039.2061227818,-25039.1958482924,-25039.1852506345,-25039.1743358902,-25039.1631271721,-25039.151655702,-25039.1399547296,-25039.128063992,-25039.1160435003,-25039.103961781,-25039.0918958755,-25039.0799118772,-25039.0680401971,-25039.0563813948,-25039.0450380568,-25039.0341529127,-25039.0238500396,-25039.0142462162,-25039.0052254748,-25038.9967918703,-25038.9890260935,-25038.9819025989,-25038.9755547899,-25038.9701225576,-25038.9657453875,-25038.9625684419,-25038.960729179,-25038.9603549198,-25038.9615713635,-25038.9644348721,-25038.9688408314,-25038.9746509722,-25038.9818786755,-25038.9905259686,-25039.0006131256,-25039.0121446069,-25039.0250664833,-25039.0393329356,-25039.0548912512,-25039.0716635776,-25039.089570846,-25039.1085372314,-25039.1284840705,-25039.1493067491,-25039.1706034353,-25039.1921924735,-25039.2140020935,-25039.2359767443,-25039.2580706066,-25039.2802528638,-25039.3025056748,-25039.324797412,-25039.3471442946,-25039.3696221477,-25039.3923453169,-25039.4154103068,-25039.4389168658,-25039.4629627148,-25039.4876354379,-25039.5130282957,-25039.5392317105,-25039.5662992058,-25039.5942190227,-25039.6230252216,-25039.652741726,-25039.6833608315,-25039.7148626698,-25039.7472139913,-25039.780306938,-25039.8140381122,-25039.8482883024,-25039.8829650588,-25039.9179564687,-25039.9531157479,-25039.9880191683,-25040.0224887239,-25040.0564680526,-25040.0899247159,-25040.122846955,-25040.1552453123,-25040.1871368181,-25040.2185705355,-25040.2495847826,-25040.2802535596,-25040.3106567464,-25040.3408768585,-25040.3709808002,-25040.4010302046,-25040.4310589295,-25040.4610990078,-25040.4912027468,-25040.5214009628,-25040.5517254863,-25040.582260049,-25040.6129626838,-25040.6436148361,-25040.6741423029,-25040.7044664209,-25040.7345555625,-25040.7644081058,-25040.7938715898,-25040.8226435256,-25040.8506683621,-25040.8778232386,-25040.9040075958,-25040.9294249852,-25040.9543870191,-25040.9790952218,-25041.0038255232,-25041.028806412,-25041.0542542125,-25041.0803566625,-25041.1073126504,-25041.1352740292,-25041.164352306,-25041.1946673007,-25041.2263118683,-25041.2593482504,-25041.2937932743,-25041.3296674169,-25041.3667296195,-25041.4045445981,-25041.4427557319,-25041.4807768977,-25041.5185219308,-25041.5560036038,-25041.593128656,-25041.6293496878,-25041.6645592466,-25041.6989331086,-25041.7326399539,-25041.7657821665,-25041.7976838093,-25041.8283663727,-25041.8578825693,-25041.8866421379,-25041.915065157,-25041.9431922762,-25041.9708064617,-25041.9978019841,-25042.0242115861,-25042.0502016163,-25042.0761433943,-25042.1023093021,-25042.1288637623,-25042.1557253745,-25042.1828820757,-25042.2105988479,-25042.238906609,-25042.2678074878,-25042.2972772568,-25042.3273168283,-25042.3577343083,-25042.3881656761,-25042.4186432687,-25042.4490360144,-25042.4789757362,-25042.5082134685,-25042.5366417589,-25042.5644476356,-25042.5915981532,-25042.6180737473,-25042.6440117746,-25042.6694369695,-25042.6944060993,-25042.7187811992,-25042.7422560293,-25042.7648589733,-25042.7864951993,-25042.807073981,-25042.826570229,-25042.8449205364,-25042.8621094948,-25042.8780325407,-25042.8924731472,-25042.9054574678,-25042.9169167227,-25042.9266813194,-25042.9346773082,-25042.940815382,-25042.9449844896,-25042.9470685618,-25042.946965975,-25042.9446038947,-25042.939848664,-25042.932504689,-25042.9224397828,-25042.9095846587,-25042.893856041,-25042.8750558015,-25042.8530445053,-25042.827719667,-25042.7989211722,-25042.7664698489,-25042.7302867296,-25042.6902391713,-25042.6459535229,-25042.597221874,-25042.5439384954,-25042.4858740873,-25042.4227907337,-25042.3545776368,-25042.280971842,-25042.2016643727,-25042.1175620875,-25042.0292951045,-25041.9372194361,-25041.8415562723,-25041.742845106,-25041.6409598324,-25041.5363075548,-25041.4280158803,-25041.3157440018,-25041.20071627,-25041.0823832577,-25040.9589247598,-25040.8301163422,-25040.695575839,-25040.5531049335,-25040.4003238563,-25040.2353384016,-25040.0550407586,-25039.8558817497,-25039.6324632032,-25039.3891894563,-25039.1267863205,-25038.8425974882,-25038.5329144278,-25038.1907616453,-25037.8123142363,-25037.3976541078,-25036.9513421129,-25036.4794008648,-25035.9841484996,-25035.4715974933,-25034.9477092313,-25034.4288635341,-25033.9304719331,-25033.4597844329,-25033.0172940989,-25032.605594389,-25032.2233966838,-25031.8606499142,-25031.5047411804,-25031.1540874836,-25030.8232869597,-25030.5286878017,-25030.2715770072,-25030.0525303595,-25029.8725104711,-25029.7327345967,-25029.6345578547,-25029.5773152558,-25029.561913456,-25029.5862715256,-25029.6478998097,-25029.7441643022,-25029.8722509631,-25030.0291251709,-25030.2116760732,-25030.4166330584,-25030.640699564,-25030.8804419747,-25031.1326342816,-25031.3960697727,-25031.668299341,-25031.946354053,-25032.2259179663,-25032.5098245836,-25032.7999472286,-25033.0947823766,-25033.3930933099,-25033.6940723098,-25033.9971679219,-25034.3018716726,-25034.6083936012,-25034.9178577017,-25035.2298925534,-25035.5441616067,-25035.8601961255,-25036.1776449628,-25036.4959874808,-25036.814518953,-25037.1326360234,-25037.4495325953,-25037.7644390651,-25038.0765610953,-25038.3850114927,-25038.6889095521,-25038.9872906337],"F":[0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.02639535,0.0623151,0.10783812,0.16389848,0.23131867,0.31076121,0.40269944,0.50735605,0.62470073,0.75438982,0.89577675,1.04788649,1.20937419,1.37859249,1.55353773,1.73202825,1.91157317,2.08949566,2.26304531,2.4294436,2.58590317,2.72978401,2.85864854,2.97037315,3.06316423,3.13566971,3.18701887,3.21686244,3.22542334,3.2134769,3.18235636,3.13396597,3.0706737,2.99532175,2.91110468,2.82164264,2.7306447,2.64194345,2.55969191,2.48794031,2.43068671,2.39189363,2.37510133,2.38340163,2.41980457,2.48664761,2.58580685,2.71867537,2.88613129,3.08840728,3.32518744,3.59551668,3.89770293,4.22952652,4.58806801,4.96971273,5.37038183,5.78530884,6.20931435,6.63663387,7.06125355,7.47676086,7.87677097,8.25494766,8.6048708,8.92060852,9.19664097,9.42795753,9.6101799,9.73989487,9.8143177,9.83099651,9.78995132,9.69186115,9.53793144,9.33014297,9.0724659,8.76925659,8.42531586,8.04591274,7.63701344,7.20478964,6.75550747,6.29547691,5.83108711,5.3683815,4.91303492,4.47011852,4.04442501,3.63997316,3.26000094,2.9073174,2.58382201,2.29125166,2.02981091,1.79901886,1.59805632,1.42564106,1.2801528,1.15852976,1.0592432,0.98101091,0.92103863,0.87654161,0.84513044,0.8246603,0.81307459,0.80840397,0.80969667,0.81536388,0.82065296,0.82791853,0.8362112,0.84504366,0.85449219,0.8638835,0.8726449,0.88092852,0.88876247,0.8967185,0.90608358,0.91577005,0.92593503,0.93688989,0.94926143,0.96316838,0.97827029,1.00795174,1.04048085,1.07279468,1.10324073,1.13114643,1.15586972,1.17667675,1.19356894,1.20254779,1.20508385,1.19969344,1.19068718,1.17495108,1.14882326,1.11025786,1.05845022,0.9937706,0.92662501,0.87160301,0.80745506,0.74398994,0.67394423,0.58967853,0.4913311,0.37887335,0.25244069,0.11239743,-0.04016519,-0.20406795,-0.36348701,-0.50963545,-0.64980769,-0.79108405,-0.93366408,-1.07783115,-1.22003341,-1.3562113,-1.48795938,-1.61290395,-1.72999573,-1.83957291,-1.94126487,-2.03556919,-2.10463762,-2.13969564,-2.16446733,-2.18349218,-2.19750881,-2.20765495,-2.21536732,-2.22138691,-2.22434235,-2.23272824,-2.25180054,-2.28099012,-2.31994843,-2.36898589,-2.42723417,-2.49436808,-2.57062435,-2.65604162,-2.74050975,-2.82737064,-2.91731501,-3.00793314,-3.09715629,-3.1844182,-3.26434565,-3.33283186,-3.39091587,-3.43792224,-3.47465944,-3.50124025,-3.49925041,-3.45941186,-3.41298795,-3.3620379,-3.3092854,-3.25614762,-3.20468664,-3.15588427,-3.11208701,-3.07386565,-3.04310393,-3.02075243,-3.00654173,-2.99784613,-2.99465585,-2.99369335,-2.99756551,-3.00594616,-3.01620793,-3.03306198,-3.05570626,-3.05969667,-3.05189705,-3.03445053,-3.01210856,-2.98808122,-2.96106219,-2.90850711,-2.82928705,-2.76098371,-2.65634775,-2.56783104,-2.50792551,-2.47191262,-2.46046877,-2.47457552,-2.51045036,-2.56661654,-2.64222908,-2.73544216,-2.84138298,-2.95923519,-3.08759618,-3.22363377,-3.36378646,-3.50501871,-3.64976716,-3.73383999,-3.80595326,-3.80212879,-3.77733326,-3.75086474,-3.72160244,-3.66497588,-3.55894709,-3.46610785,-3.39095259,-3.33306646,-3.25034523,-3.11816072,-2.99493146,-2.89812851,-2.84312367,-2.83317661,-2.77434301,-2.73232746,-2.65696955,-2.60817814,-2.58198261,-2.59499502,-2.62650013,-2.66716909,-2.68818021,-2.73380899,-2.79301405,-2.85207534,-2.91058731,-2.96599269,-3.02425981,-3.03381801,-3.0354321,-3.04275084,-3.00713396,-2.95764112,-2.87197185,-2.80021763,-2.74599862,-2.6709547,-2.6114974,-2.56029415,-2.51073337,-2.46984792,-2.3854866,-2.29608083,-2.20930815,-2.10446239,-1.99917948,-1.88746786,-1.77092147,-1.65556121,-1.51478386,-1.36733878,-1.22096419,-1.05950201,-0.88677669,-0.70655894,-0.51542681,-0.313366,-0.10041893,0.12051404,0.35244986,0.60006672,0.86637115,1.14154363,1.4231863,1.71678567,2.03347111,2.35709572,2.69534445,3.05149198,3.42030263,3.79744649,4.1946826,4.63650942,5.08317137,5.54634857,6.0364275,6.5438962,7.06442642,7.62001848,8.17215538,8.5924015,8.99711895,9.36645222,9.68928719,10.00118446,10.29476261,10.59359455,11.02250195,11.35592937,11.60661983,12.02146149,12.62038898,13.09562111,13.77350521,14.67577839,15.79842567,17.16926956,18.82810211,20.98474121,23.40605164,25.15222931,27.22227859,29.50617981,32.36629486,35.86650467,39.7000351,43.00395584,45.84867096,48.2509613,50.33905029,51.76064301,52.36433411,50.83686447,48.40381241,45.51681137,42.65089417,39.3584938,36.97805786,35.38885498,35.65143967,34.34682083,31.20659447,27.52313614,23.74551201,19.89873886,16.00859833,11.84913254,7.74251747,3.6126678,-0.48790383,-4.32901478,-7.9154706,-11.23347473,-14.25694275,-16.97242737,-19.37401199,-21.44400787,-23.17770004,-24.57377625,-25.71853447,-26.7606411,-27.47978783,-27.86466789,-27.94879532,-28.64094162,-29.18923187,-29.5820694,-29.88749313,-30.12287712,-30.30700302,-30.4484024,-30.71065903,-30.99120712,-31.22983742,-31.42668533,-31.59128571,-31.70585823,-31.75990868,-31.74885941,-31.66747475,-31.51047325,-31.27304268,-30.95123291,-30.54078674,-30.04016876,-29.44959831],"S^2":[],"force-flip-times":3,"force-total-variation":172.22704603,"force-jump":5.96129253,"energy-diff-flip-times":3,"energy-grad-norm-max":51.9822068403,"energy-jump":0.0472617287,"energy-total-variation":31.3777497939,"tortuosity":6.8908049094,"conservation-deviation":0.0134370357,"spearman-descending-force":-1.0,"spearman-ascending-force":0.1873493992,"spearman-repulsion-energy":-0.5703925144,"spearman-attraction-energy":null,"pbe-energy-mae":null,"pbe-force-mae":null}]
\ No newline at end of file