{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.4623 0 0 ] "si-unit" "m" "si-value" [ 1.04623e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.17702 9.10902 0 ] "si-unit" "m" "si-value" [ -5.17702e-10 9.109019999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.273433 0.71284 10.6008 ] "si-unit" "m" "si-value" [ -2.73433e-11 7.128400000000001e-11 1.06008e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0430826 0.115296 0.202802 ] [ -0.136623 0.0595937 3.05988 ] [ -0.303173 0.402205 4.89357 ] [ -0.0276834 0.334505 7.92467 ] [ -1.31707 2.22617 -0.102221 ] [ -1.2854 2.14432 2.82217 ] [ -1.38223 2.40391 4.88676 ] [ -1.52216 2.48021 7.77842 ] [ -2.6326 4.53463 0.181318 ] [ -2.52911 4.73367 2.17148 ] [ -2.70272 5.13572 5.29351 ] [ -2.79845 4.92805 7.71147 ] [ -3.84074 6.90959 0.133047 ] [ -4.02284 7.03418 2.36212 ] [ -3.94316 6.99519 4.93003 ] [ -3.82567 7.50166 7.75349 ] [ 2.80879 0.0390403 -0.289936 ] [ 2.50906 0.149879 2.92328 ] [ 2.47609 0.201173 5.15515 ] [ 2.39848 0.755178 7.96573 ] [ 1.30067 2.26939 -0.0162389 ] [ 1.3322 2.23612 2.56102 ] [ 1.43269 2.32698 5.33682 ] [ 0.997156 2.84236 7.7662 ] [ 0.335137 4.35968 -0.417904 ] [ -0.0835215 5.02199 2.22868 ] [ -0.0747447 4.77134 5.08816 ] [ -0.136421 4.86033 7.73109 ] [ -1.12424 6.89488 -0.0331194 ] [ -1.67836 7.07189 2.72226 ] [ -1.39063 6.95309 5.06575 ] [ -1.54387 7.49711 7.4399 ] [ 5.1208 -0.138776 0.333694 ] [ 5.30155 0.134077 2.4594 ] [ 5.27699 0.00484285 4.9212 ] [ 4.85928 0.233865 7.63149 ] [ 3.97831 2.27292 -0.000362991 ] [ 3.94969 2.3684 2.5422 ] [ 3.84843 2.64726 5.29769 ] [ 3.63978 2.5476 7.93726 ] [ 2.87518 4.1926 -0.107875 ] [ 2.32498 4.73478 2.67503 ] [ 2.54136 4.68928 4.67454 ] [ 2.25924 4.7252 7.75096 ] [ 1.06839 6.97292 -0.00496059 ] [ 1.32109 7.03447 2.67824 ] [ 1.24084 7.04082 5.05633 ] [ 1.38535 6.77454 7.91628 ] [ 8.05661 0.321403 -0.170494 ] [ 7.81102 0.0822359 2.86153 ] [ 7.82491 0.192494 5.73545 ] [ 7.56629 0.435652 7.81187 ] [ 6.5856 2.29276 0.0590417 ] [ 6.6217 2.25416 3.01817 ] [ 6.54816 2.54821 5.14252 ] [ 6.36274 2.84257 8.10785 ] [ 4.9263 4.65842 0.264935 ] [ 5.31998 4.33999 2.89505 ] [ 4.93083 4.73588 5.44301 ] [ 4.88796 4.45959 7.8083 ] [ 3.90175 6.71856 0.0507464 ] [ 3.88371 7.02909 2.28992 ] [ 3.98695 6.94934 4.69665 ] [ 3.91958 7.1469 7.65695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.30826e-12 1.15296e-11 2.0280200000000002e-11 ] [ -1.36623e-11 5.95937e-12 3.0598800000000003e-10 ] [ -3.0317300000000004e-11 4.02205e-11 4.89357e-10 ] [ -2.7683400000000003e-12 3.34505e-11 7.92467e-10 ] [ -1.31707e-10 2.2261700000000003e-10 -1.02221e-11 ] [ -1.2854e-10 2.1443200000000002e-10 2.82217e-10 ] [ -1.3822300000000001e-10 2.4039100000000004e-10 4.88676e-10 ] [ -1.52216e-10 2.48021e-10 7.77842e-10 ] [ -2.6326000000000003e-10 4.5346300000000003e-10 1.81318e-11 ] [ -2.52911e-10 4.733670000000001e-10 2.17148e-10 ] [ -2.70272e-10 5.13572e-10 5.29351e-10 ] [ -2.79845e-10 4.92805e-10 7.71147e-10 ] [ -3.84074e-10 6.90959e-10 1.3304700000000001e-11 ] [ -4.0228400000000007e-10 7.03418e-10 2.36212e-10 ] [ -3.9431600000000006e-10 6.995190000000001e-10 4.930030000000001e-10 ] [ -3.8256700000000003e-10 7.501660000000001e-10 7.75349e-10 ] [ 2.80879e-10 3.90403e-12 -2.8993600000000005e-11 ] [ 2.50906e-10 1.49879e-11 2.92328e-10 ] [ 2.4760900000000003e-10 2.01173e-11 5.155150000000001e-10 ] [ 2.3984800000000004e-10 7.55178e-11 7.96573e-10 ] [ 1.30067e-10 2.26939e-10 -1.62389e-12 ] [ 1.3322e-10 2.23612e-10 2.56102e-10 ] [ 1.43269e-10 2.32698e-10 5.336820000000001e-10 ] [ 9.971560000000001e-11 2.84236e-10 7.766200000000001e-10 ] [ 3.3513700000000006e-11 4.3596800000000003e-10 -4.1790400000000003e-11 ] [ -8.352150000000001e-12 5.02199e-10 2.2286800000000004e-10 ] [ -7.47447e-12 4.77134e-10 5.088160000000001e-10 ] [ -1.36421e-11 4.860330000000001e-10 7.73109e-10 ] [ -1.1242399999999999e-10 6.894879999999999e-10 -3.31194e-12 ] [ -1.67836e-10 7.07189e-10 2.72226e-10 ] [ -1.39063e-10 6.95309e-10 5.065750000000001e-10 ] [ -1.5438700000000002e-10 7.49711e-10 7.4399e-10 ] [ 5.120800000000001e-10 -1.3877600000000002e-11 3.33694e-11 ] [ 5.30155e-10 1.34077e-11 2.4594000000000003e-10 ] [ 5.276989999999999e-10 4.84285e-13 4.9212e-10 ] [ 4.85928e-10 2.33865e-11 7.631490000000001e-10 ] [ 3.97831e-10 2.2729200000000001e-10 -3.6299100000000005e-14 ] [ 3.94969e-10 2.3684e-10 2.5422e-10 ] [ 3.84843e-10 2.6472600000000004e-10 5.29769e-10 ] [ 3.63978e-10 2.5476e-10 7.937260000000001e-10 ] [ 2.87518e-10 4.1925999999999996e-10 -1.07875e-11 ] [ 2.32498e-10 4.73478e-10 2.6750300000000003e-10 ] [ 2.5413600000000003e-10 4.68928e-10 4.67454e-10 ] [ 2.2592400000000002e-10 4.7252e-10 7.75096e-10 ] [ 1.06839e-10 6.972920000000001e-10 -4.96059e-13 ] [ 1.3210900000000001e-10 7.03447e-10 2.6782400000000005e-10 ] [ 1.24084e-10 7.04082e-10 5.056330000000001e-10 ] [ 1.38535e-10 6.77454e-10 7.916280000000001e-10 ] [ 8.05661e-10 3.2140300000000004e-11 -1.70494e-11 ] [ 7.81102e-10 8.22359e-12 2.86153e-10 ] [ 7.824910000000001e-10 1.92494e-11 5.73545e-10 ] [ 7.566290000000001e-10 4.35652e-11 7.81187e-10 ] [ 6.5856e-10 2.29276e-10 5.90417e-12 ] [ 6.6217e-10 2.2541600000000003e-10 3.01817e-10 ] [ 6.548160000000001e-10 2.54821e-10 5.142520000000001e-10 ] [ 6.362739999999999e-10 2.84257e-10 8.107849999999999e-10 ] [ 4.926300000000001e-10 4.658419999999999e-10 2.6493499999999998e-11 ] [ 5.31998e-10 4.3399900000000004e-10 2.89505e-10 ] [ 4.93083e-10 4.73588e-10 5.443010000000001e-10 ] [ 4.88796e-10 4.4595900000000007e-10 7.8083e-10 ] [ 3.90175e-10 6.718560000000001e-10 5.07464e-12 ] [ 3.8837100000000003e-10 7.02909e-10 2.28992e-10 ] [ 3.9869500000000004e-10 6.94934e-10 4.696650000000001e-10 ] [ 3.91958e-10 7.146899999999999e-10 7.65695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3036231000000007 -2.7077176000000005 -0.7976306000000002 ] [ 6.594234600000002 1.9082487000000004 -16.734002800000003 ] [ 8.080300900000001 -6.324086000000002 26.680606700000006 ] [ -2.6281150000000006 -4.895556200000001 4.771527800000001 ] [ -0.14992790000000003 7.180937200000002 -2.4930747000000006 ] [ -2.0886392000000003 20.585812600000004 -16.370160000000002 ] [ 3.165702200000001 18.359302200000002 10.474066000000002 ] [ 0.9748360000000003 0.3236801000000001 -0.6510212000000001 ] [ -2.3808601000000005 -0.10120530000000003 -4.130525500000001 ] [ 1.6993708000000005 -8.686570000000001 1.9077797000000005 ] [ -3.678144600000001 -6.602715600000002 5.847827100000001 ] [ 0.9587435000000002 1.7508159000000005 -1.7014879000000005 ] [ -2.2222972000000003 3.392926600000001 -5.595071400000001 ] [ -1.4646189000000003 -6.380562600000002 -4.941973100000001 ] [ -8.321081500000002 -6.256764400000002 10.239738100000002 ] [ -2.5905265000000006 -10.524128100000002 1.2599624000000003 ] [ -4.159257300000001 -4.347760700000001 -3.361004500000001 ] [ 3.406855300000001 6.023768900000002 0.20263340000000005 ] [ 0.3913699000000001 2.2851883000000006 -2.6035666000000006 ] [ -0.6467256000000001 2.4378833000000006 13.100005600000003 ] [ -3.963187800000001 -4.124071400000001 6.0214693000000015 ] [ 0.5368953000000001 7.149188300000001 -8.553608300000002 ] [ -0.4939840000000001 1.8647540000000005 4.654536300000001 ] [ -6.447421300000002 0.8225466000000002 -4.938953400000001 ] [ -5.901981500000001 1.5723903000000004 1.6433813000000004 ] [ 0.6089353000000001 -8.962468300000001 2.0634364000000005 ] [ -0.8608665000000002 -5.412983200000001 1.9340582000000004 ] [ -11.740756300000001 6.134548600000001 -0.8112799000000003 ] [ -4.033463300000001 -4.788060400000001 -7.039102100000002 ] [ 3.664873900000001 2.2507785000000005 -0.4633696000000001 ] [ 5.591094000000001 -2.3261630000000006 1.5323604000000004 ] [ 7.175384600000002 -5.3053306000000005 1.4154943000000002 ] [ 4.498837400000001 4.404784200000001 2.7018772000000006 ] [ -3.498375200000001 0.8878982000000002 -5.242020800000001 ] [ -3.776530600000001 3.559895600000001 6.127084900000002 ] [ 8.867662000000001 -3.886727300000001 -2.1376560000000002 ] [ 4.174504200000001 -3.5621685000000007 0.6433516000000001 ] [ -1.0770876000000003 -0.5994732000000002 -4.580060500000001 ] [ 1.0328794000000001 -6.202830200000002 2.7198096000000005 ] [ 8.041343800000002 -0.29838210000000004 -2.5459002000000006 ] [ -3.382202000000001 4.376426200000001 -4.466457300000001 ] [ 0.5192698000000001 -3.815213400000001 -2.9768943000000005 ] [ -4.480320500000001 -0.9126412000000003 -0.9692883000000002 ] [ 6.680834900000002 3.104028000000001 -1.3655611000000003 ] [ 9.705427200000003 -1.7796356000000004 -5.638825500000001 ] [ -0.7122390000000001 -2.1193644000000003 -2.1029925000000005 ] [ 2.3706492000000003 1.2090594000000001 3.550139800000001 ] [ 2.7912015000000006 9.430625300000003 0.005797200000000001 ] [ -4.113859700000001 -9.145591700000002 1.4011895000000003 ] [ -8.851369400000001 -0.7683058000000003 -16.427041100000004 ] [ -4.766410100000001 -3.6211567000000007 6.885666400000002 ] [ -6.079103600000002 -3.089856700000001 2.7068033000000002 ] [ -3.889127400000001 1.5415391000000005 -3.390380500000001 ] [ -2.9785212000000003 6.745602000000002 -3.567135800000001 ] [ 5.168369800000001 -4.069271200000001 4.173452800000001 ] [ 1.5023093000000005 2.6768391000000005 6.0693803000000015 ] [ 7.100732400000002 5.5091581000000005 1.3386066000000003 ] [ 2.1736885000000004 6.581094500000002 -7.762454800000002 ] [ -0.41685090000000014 1.5640916000000005 8.396212000000002 ] [ 3.255866500000001 11.724193800000002 0.48873670000000013 ] [ -3.750388600000001 3.048142400000001 -3.037002400000001 ] [ -1.2188453000000001 -6.291437200000002 -5.036132800000001 ] [ -0.17124070000000002 -11.139351500000002 10.458957200000002 ] [ 2.8985308000000005 -1.3585976000000002 1.0156873000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.292987694754822e-09 -4.338241834448687e-09 -1.277945099354677e-09 ] [ 1.0565128508190443e-08 3.0573514538119937e-09 -2.6810828058561743e-08 ] [ 1.2946069191009201e-08 -1.0132302737128592e-08 4.274704428349985e-08 ] [ -4.210704409773793e-09 -7.84354568945249e-09 7.644830286657261e-09 ] [ -2.4021097618564036e-10 1.1505129697273017e-08 -3.994345998247975e-09 ] [ -3.3463688955264157e-09 3.298210766789007e-08 -2.6227887630755332e-08 ] [ 5.072014053255128e-09 2.941484475904201e-08 1.6781303669916178e-08 ] [ 1.5618594483141892e-09 5.185926888382063e-10 -1.0430509462851612e-09 ] [ -3.814558389615551e-09 -1.6214876556105028e-10 -6.6178313877182325e-09 ] [ 2.7226921658301935e-09 -1.3917419368942658e-08 3.056600032976839e-09 ] [ -5.893037286041769e-09 -1.0578716568111447e-08 9.369251862100666e-09 ] [ 1.5360764210439651e-09 2.805116302304912e-09 -2.7260841339540893e-09 ] [ -3.5605126183093022e-09 5.436067674610435e-09 -8.964292588786727e-09 ] [ -2.3465781599618137e-09 -1.0222788225270866e-08 -7.917913761442502e-09 ] [ -1.3331842239071399e-08 -1.0024441643533742e-08 1.6405868986935016e-08 ] [ -4.150480993862852e-09 -1.686151199612433e-08 2.0186823003670583e-09 ] [ -6.663864805951734e-09 -6.965880546373045e-09 -5.384922832303595e-09 ] [ 5.4583839121085725e-09 9.651141700682137e-09 3.246544960732148e-10 ] [ 6.270437038648341e-10 3.6612752683856977e-09 -4.171373537215746e-09 ] [ -1.0361686363928528e-09 3.905919627498754e-09 2.0988522704669082e-08 ] [ -6.349726836999788e-09 -6.6074907795899265e-09 9.647457335324944e-09 ] [ 8.602010974774024e-10 1.1454262351956899e-08 -1.3704391241740836e-08 ] [ -7.914496158492674e-10 2.9876652623432842e-09 7.457389240524937e-09 ] [ -1.0329907671307946e-08 1.3178649320385296e-09 -7.913075668700672e-09 ] [ -9.456016775694116e-09 2.5192469774326987e-09 2.6329870979199116e-09 ] [ 9.756219012398343e-10 -1.4359457174921123e-08 3.305989558587718e-09 ] [ -1.3792601799299236e-09 -8.672555131823173e-09 3.0987028313065314e-09 ] [ -1.8810765254370314e-08 9.828630346081373e-09 -1.2998136887049625e-09 ] [ -6.462320600114818e-09 -7.671318431858297e-09 -1.1277884816044187e-08 ] [ 5.871775280760119e-09 3.6061446912992937e-09 -7.423999399094479e-10 ] [ 8.957920091495156e-09 -3.726923974769992e-09 2.455112007519737e-09 ] [ 1.1496233451368364e-08 -8.500076652934837e-09 2.267871874335662e-09 ] [ 7.20793210306066e-09 7.057242264909233e-09 4.328884482112567e-09 ] [ -5.605014956226525e-09 1.422569737690403e-09 -8.398643171507314e-09 ] [ -6.050669035055798e-09 5.70358150280879e-09 9.81667218043671e-09 ] [ 1.4207560737556572e-08 -6.227223611485109e-09 -3.4249024665128453e-09 ] [ 6.68829303267141e-09 -5.707223090050206e-09 1.0307628924742735e-09 ] [ -1.7256845712735826e-09 -9.604619458361629e-10 -7.3380658549495605e-09 ] [ 1.6548552267859317e-09 -9.938029529232191e-09 4.357615354147401e-09 ] [ 1.2883653036175033e-08 -4.780608246852078e-10 -4.078981779330045e-09 ] [ -5.418884971223003e-09 7.011807740296587e-09 -7.156053463861493e-09 ] [ 8.31961933447492e-10 -6.112645712842881e-09 -4.7695104500527825e-09 ] [ -7.1782647587909685e-09 -1.4622123938188575e-09 -1.5529710530749771e-09 ] [ 1.0703877484204708e-08 4.973201091908584e-09 -2.1878700686939314e-09 ] [ 1.554980855471641e-08 -2.8512905518633812e-09 -9.034394384870873e-09 ] [ -1.1411326742219713e-09 -3.39559609263582e-09 -3.3693654172177447e-09 ] [ 3.798198724358224e-09 1.937126703838476e-09 5.68795098813159e-09 ] [ 4.4719977872418925e-09 1.510952737518499e-08 9.288138306101761e-12 ] [ -6.591129832591303e-09 -1.4652853205122531e-08 2.244953058210442e-09 ] [ -1.4181457114744526e-08 -1.2309615903850411e-09 -2.6319021199340723e-08 ] [ -7.636630827364991e-09 -5.80173260499328e-09 1.1032053724708105e-08 ] [ -9.739797663341117e-09 -4.950496166362241e-09 4.336776964364289e-09 ] [ -6.231068995592692e-09 2.469817906069074e-09 -5.431988372716216e-09 ] [ -4.772117031197162e-09 1.0807645817621724e-08 -5.715181581978706e-09 ] [ 8.280641261208773e-09 -6.519691180334763e-09 6.6866085041723e-09 ] [ 2.4069648376704143e-09 4.288769023663314e-09 9.724219219404092e-09 ] [ 1.1376627441837077e-08 8.82664430811095e-09 2.144684198968578e-09 ] [ 3.4826328956018216e-09 1.0544075747175468e-08 -1.2436823600576744e-08 ] [ -6.67868766339439e-10 2.505950994309666e-09 1.3452214569680414e-08 ] [ 5.216473186745925e-09 1.8784229204088315e-08 7.830425144669436e-10 ] [ -6.008784933834845e-09 4.883662490149204e-09 -4.865814242593492e-09 ] [ -1.9528054440319624e-09 -1.0079993593071417e-08 -8.068774231404044e-09 ] [ -2.743578460694266e-10 -1.7847208544173416e-08 1.6757096703787834e-08 ] [ 4.643958282428722e-09 -2.1767133117949903e-09 1.6273104461034762e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 78.934863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.26467592064651e-17 } }