{ "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" [ 10.5985 0 0 ] "si-unit" "m" "si-value" [ 1.05985e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.17442 9.21161 0 ] "si-unit" "m" "si-value" [ -5.174419999999999e-10 9.211610000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42609 -0.00977198 10.5161 ] "si-unit" "m" "si-value" [ 4.260900000000001e-11 -9.77198e-13 1.05161e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0409135 0.0270498 -0.0137109 ] [ 0.0697032 0.0175591 2.25284 ] [ 0.277505 -0.17655 5.24147 ] [ 0.283837 0.183165 7.92422 ] [ -1.38584 2.22006 0.0637636 ] [ -1.44165 2.25941 2.39012 ] [ -1.12736 2.34287 5.18637 ] [ -1.05492 2.38642 7.64414 ] [ -2.59134 4.6557 0.203448 ] [ -2.92772 4.47634 2.70551 ] [ -2.1375 4.93704 5.12675 ] [ -2.13046 4.8652 8.11526 ] [ -3.99004 6.85303 -0.133988 ] [ -3.78891 6.91411 2.6135 ] [ -3.6247 7.07187 5.21436 ] [ -3.62522 6.9389 7.2731 ] [ 2.63698 -0.0276547 -0.331699 ] [ 2.96361 0.0445678 2.72422 ] [ 3.0463 0.19871 4.77384 ] [ 2.79404 0.0142487 7.659 ] [ 1.71679 2.36175 -0.129159 ] [ 1.43066 2.72908 2.58833 ] [ 1.51704 2.30626 5.09185 ] [ 1.70853 2.34379 7.42423 ] [ -0.0364367 4.65665 0.0585864 ] [ 0.0533651 4.69525 2.74201 ] [ 0.0881708 4.77505 4.97833 ] [ 0.137284 4.47206 7.85719 ] [ -1.37326 7.01402 0.0996914 ] [ -0.842078 7.04042 2.52433 ] [ -1.13498 6.88054 5.16228 ] [ -0.949151 6.937 7.79374 ] [ 5.27744 -0.162719 0.0778446 ] [ 5.20808 -0.151178 2.28577 ] [ 5.48132 -0.133552 5.25721 ] [ 5.82526 -0.10526 7.32915 ] [ 3.92699 2.1966 -0.074901 ] [ 4.22855 2.14096 2.19375 ] [ 4.22017 2.35458 5.06192 ] [ 4.1739 2.27154 7.91774 ] [ 2.73094 4.26896 0.00598178 ] [ 2.86015 4.46897 2.37159 ] [ 2.89736 4.58166 5.13349 ] [ 2.93322 4.58862 7.59919 ] [ 1.45551 6.80239 0.0908878 ] [ 1.44936 6.84223 2.17558 ] [ 1.60997 6.77704 5.13725 ] [ 1.38958 6.77665 7.18225 ] [ 7.98923 -0.115709 0.19275 ] [ 8.00431 -0.0739984 2.34674 ] [ 7.97935 0.183172 5.09188 ] [ 8.28623 -0.14939 7.49211 ] [ 6.65857 2.20273 -0.375537 ] [ 6.66397 2.21593 2.22235 ] [ 6.42619 1.91796 4.90976 ] [ 6.79927 2.23613 7.1125 ] [ 5.37298 4.30803 -0.158896 ] [ 5.30982 4.45782 2.40261 ] [ 5.33833 4.33365 5.26997 ] [ 5.4853 4.82883 7.81351 ] [ 3.89373 6.64187 -0.641858 ] [ 4.11705 6.87282 2.36072 ] [ 4.20715 6.86242 4.90565 ] [ 4.28423 6.87173 7.49915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.09135e-12 2.70498e-12 -1.37109e-12 ] [ 6.970320000000001e-12 1.7559100000000001e-12 2.25284e-10 ] [ 2.7750500000000002e-11 -1.7655000000000003e-11 5.24147e-10 ] [ 2.8383700000000003e-11 1.83165e-11 7.924220000000001e-10 ] [ -1.38584e-10 2.2200600000000003e-10 6.3763600000000005e-12 ] [ -1.4416500000000001e-10 2.25941e-10 2.39012e-10 ] [ -1.12736e-10 2.34287e-10 5.186370000000001e-10 ] [ -1.0549200000000001e-10 2.3864200000000003e-10 7.644140000000001e-10 ] [ -2.5913400000000005e-10 4.655700000000001e-10 2.03448e-11 ] [ -2.92772e-10 4.4763400000000007e-10 2.70551e-10 ] [ -2.1375000000000004e-10 4.93704e-10 5.126750000000001e-10 ] [ -2.13046e-10 4.8652e-10 8.11526e-10 ] [ -3.99004e-10 6.85303e-10 -1.33988e-11 ] [ -3.7889100000000003e-10 6.91411e-10 2.6135000000000003e-10 ] [ -3.6247e-10 7.07187e-10 5.214360000000001e-10 ] [ -3.62522e-10 6.938900000000001e-10 7.2731e-10 ] [ 2.63698e-10 -2.7654700000000003e-12 -3.31699e-11 ] [ 2.96361e-10 4.45678e-12 2.72422e-10 ] [ 3.0463e-10 1.9871e-11 4.77384e-10 ] [ 2.79404e-10 1.42487e-12 7.659e-10 ] [ 1.71679e-10 2.3617499999999996e-10 -1.29159e-11 ] [ 1.4306600000000002e-10 2.72908e-10 2.58833e-10 ] [ 1.51704e-10 2.30626e-10 5.09185e-10 ] [ 1.70853e-10 2.34379e-10 7.42423e-10 ] [ -3.64367e-12 4.65665e-10 5.85864e-12 ] [ 5.33651e-12 4.69525e-10 2.74201e-10 ] [ 8.81708e-12 4.77505e-10 4.97833e-10 ] [ 1.37284e-11 4.47206e-10 7.85719e-10 ] [ -1.37326e-10 7.014020000000001e-10 9.96914e-12 ] [ -8.420780000000001e-11 7.04042e-10 2.52433e-10 ] [ -1.1349800000000002e-10 6.880540000000001e-10 5.16228e-10 ] [ -9.49151e-11 6.937000000000001e-10 7.79374e-10 ] [ 5.27744e-10 -1.62719e-11 7.78446e-12 ] [ 5.20808e-10 -1.5117800000000002e-11 2.28577e-10 ] [ 5.481320000000001e-10 -1.3355200000000001e-11 5.25721e-10 ] [ 5.82526e-10 -1.0526000000000001e-11 7.32915e-10 ] [ 3.92699e-10 2.1966000000000002e-10 -7.4901e-12 ] [ 4.2285500000000004e-10 2.1409600000000003e-10 2.19375e-10 ] [ 4.2201700000000003e-10 2.35458e-10 5.06192e-10 ] [ 4.1739e-10 2.27154e-10 7.917740000000001e-10 ] [ 2.73094e-10 4.26896e-10 5.98178e-13 ] [ 2.86015e-10 4.46897e-10 2.37159e-10 ] [ 2.89736e-10 4.5816600000000005e-10 5.13349e-10 ] [ 2.93322e-10 4.5886199999999997e-10 7.59919e-10 ] [ 1.45551e-10 6.80239e-10 9.088780000000001e-12 ] [ 1.44936e-10 6.84223e-10 2.17558e-10 ] [ 1.6099699999999999e-10 6.777040000000001e-10 5.13725e-10 ] [ 1.38958e-10 6.776650000000001e-10 7.18225e-10 ] [ 7.98923e-10 -1.1570900000000001e-11 1.9275000000000003e-11 ] [ 8.00431e-10 -7.399840000000001e-12 2.34674e-10 ] [ 7.97935e-10 1.83172e-11 5.09188e-10 ] [ 8.28623e-10 -1.4939e-11 7.49211e-10 ] [ 6.65857e-10 2.20273e-10 -3.7553700000000005e-11 ] [ 6.66397e-10 2.2159300000000003e-10 2.22235e-10 ] [ 6.42619e-10 1.9179600000000002e-10 4.909760000000001e-10 ] [ 6.79927e-10 2.2361300000000002e-10 7.1125e-10 ] [ 5.37298e-10 4.30803e-10 -1.58896e-11 ] [ 5.309820000000001e-10 4.45782e-10 2.40261e-10 ] [ 5.33833e-10 4.33365e-10 5.26997e-10 ] [ 5.4853e-10 4.82883e-10 7.81351e-10 ] [ 3.8937300000000005e-10 6.64187e-10 -6.41858e-11 ] [ 4.1170500000000003e-10 6.87282e-10 2.36072e-10 ] [ 4.2071500000000003e-10 6.86242e-10 4.90565e-10 ] [ 4.2842300000000003e-10 6.87173e-10 7.499150000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.12857930000000004 -0.15815070000000003 -0.7246376000000001 ] [ -1.1942637000000003 -1.0727462000000003 0.7257496000000001 ] [ -0.5849421000000001 1.7984482000000004 0.3107381000000001 ] [ -0.10987270000000003 -0.27793270000000003 -0.5740908000000001 ] [ -0.4917568000000001 0.7102722000000001 -1.0312478000000003 ] [ 0.20173720000000006 0.29141720000000004 1.2853828000000003 ] [ 1.0564285000000002 -0.29380500000000004 -0.5999562000000002 ] [ -0.6635030000000001 -0.9108095000000003 0.23607930000000005 ] [ -0.5160182000000001 -0.4327991000000001 -0.6149981000000001 ] [ 0.9598282000000002 0.23808690000000005 0.24948630000000005 ] [ -3.2039812000000008 -2.8947133000000003 -0.3871363000000001 ] [ -0.5609813000000001 -0.8807030000000002 0.9378654000000002 ] [ -0.32444390000000006 0.0031073000000000003 1.0242108000000003 ] [ -0.8996895000000003 -0.10364090000000002 -1.1014750000000002 ] [ -0.4252942000000001 -0.43270750000000013 -2.6301982000000006 ] [ -0.22027060000000007 0.34565360000000006 2.5529143000000003 ] [ -0.5421795000000001 -0.29455630000000005 -0.6797812000000001 ] [ -0.8878807000000002 -1.0950800000000003 -2.8570562000000006 ] [ -1.2245472000000002 -0.6632596000000001 3.661286800000001 ] [ -0.12640960000000004 0.17870560000000002 0.23317160000000006 ] [ -2.7973862000000005 -1.7026611000000005 0.06969560000000001 ] [ -0.5406130000000001 0.12068580000000002 0.09393730000000003 ] [ -0.46006950000000013 0.07820190000000002 -1.2342437000000002 ] [ -0.8827867000000003 -0.07812470000000002 1.0831912000000001 ] [ -0.2586608000000001 -0.23675160000000006 -0.27870740000000005 ] [ 0.36257280000000003 -0.49093720000000013 -2.1523234000000007 ] [ 1.9504238000000005 -1.5476853000000004 1.8606016000000005 ] [ 1.9647449000000003 0.6054709000000001 0.05537170000000002 ] [ 0.04781050000000001 -1.2707445000000002 -0.9640813000000003 ] [ -2.7528315000000005 -2.3569325000000005 0.9494200000000003 ] [ 1.4810304000000003 2.9188500000000004 -0.05411140000000001 ] [ -0.6894024000000001 0.6698889000000001 0.6357643000000001 ] [ 0.013371500000000003 0.8814461000000002 -1.7321136000000004 ] [ 2.5551120000000003 2.3336541000000004 0.6232538000000001 ] [ -0.6766492000000001 -1.2460005000000003 -2.1632280000000006 ] [ 0.4666298000000001 0.33847510000000003 3.503944300000001 ] [ 2.7248954000000003 -1.3807700000000003 -1.7493244000000003 ] [ -0.5949055000000001 0.8140882000000003 2.3367776000000005 ] [ -2.8172855000000006 -0.4747927000000001 0.5221349000000001 ] [ 0.3785634000000001 0.7405647000000001 -1.0806006000000001 ] [ 0.5203340000000001 3.4730087000000007 -0.7377004000000001 ] [ 0.06452100000000001 1.1737685000000002 1.0520855000000002 ] [ -0.11883570000000003 -0.4437683000000001 -0.7129173000000001 ] [ -0.0024518000000000005 0.025653000000000006 0.6771088000000001 ] [ -0.7017791000000001 -0.22825750000000006 -2.1063131000000004 ] [ 1.9270151000000004 -0.4268257000000001 1.2620651000000003 ] [ 0.046328900000000006 0.6420226000000001 -2.0301241000000005 ] [ 1.1296729000000003 -0.5845058000000001 2.5291497000000005 ] [ 0.19239710000000004 0.21595970000000006 -1.6891700000000005 ] [ 0.11130650000000003 0.13549670000000003 1.7941898000000005 ] [ 2.2698025000000004 -1.4666235000000003 -1.0130422000000001 ] [ 0.24306920000000007 0.9345070000000002 0.12744820000000004 ] [ 0.4895284000000001 -0.36572380000000004 0.8670724000000002 ] [ 0.25052740000000007 -0.18537760000000003 -0.10616680000000003 ] [ 1.7021648000000005 2.1648150000000004 -1.2348795000000001 ] [ 0.26245700000000005 -0.5501316000000002 0.8082798000000002 ] [ 0.09704710000000003 1.6891615000000004 -0.12512280000000003 ] [ -0.11730360000000002 0.5842860000000001 0.6297545000000001 ] [ 0.7191557000000001 2.1541604000000003 -0.6694992000000001 ] [ -0.8082291000000003 -1.3587324000000003 -0.18344110000000002 ] [ 0.7919277000000002 -0.41533730000000013 0.8954834000000003 ] [ 0.8308133000000002 -0.17363210000000004 0.10272130000000003 ] [ 0.6016715000000001 -0.07417350000000002 0.21304090000000006 ] [ -0.34624380000000005 0.30953700000000006 -0.6916888000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.060067483788295e-10 -2.5338535410315463e-10 -1.1609974212726222e-09 ] [ -1.9134213792101055e-09 -1.7187288816920415e-09 1.1627790416749519e-09 ] [ -9.37180557141656e-10 2.8814316597598434e-09 4.978573190118126e-10 ] [ -1.760354712041722e-10 -4.452972740958202e-10 -9.197948579763688e-10 ] [ -7.878812480794216e-10 1.137981513244182e-09 -1.6522411154114347e-09 ] [ 3.2321862538565386e-10 4.669018247389978e-10 2.059410270938443e-09 ] [ 1.6925850442468132e-09 -4.70727502074144e-10 -9.612357971440092e-10 ] [ -1.0630489944306625e-09 -1.459277686902538e-09 3.782407351148295e-10 ] [ -8.267522959472988e-10 -6.934205995232815e-10 -9.853355776564207e-10 ] [ 1.537814302024547e-09 3.814572648987476e-10 3.9972111706989514e-10 ] [ -5.13334377212273e-09 -4.6378419731788175e-09 -6.202607289230152e-10 ] [ -8.987911235659913e-10 -1.4110417564684228e-09 1.5026260173372407e-09 ] [ -5.198164313411733e-10 4.978443413811841e-12 1.6409665985308651e-09 ] [ -1.441461482879242e-09 -1.6605102693867075e-10 -1.7647574933956804e-09 ] [ -6.813964242018396e-10 -6.932738401448162e-10 -4.214042064110244e-09 ] [ -3.529124055695886e-10 5.53798116815355e-10 4.090219606365998e-09 ] [ -8.686673191770339e-10 -4.719312173693511e-10 -1.0891295458993692e-09 ] [ -1.422541699599539e-09 -1.7545115739056645e-09 -4.57750864795169e-09 ] [ -1.961940894906102e-09 -1.0626590246411598e-09 5.866028113003647e-09 ] [ -2.0253050576467975e-10 2.863179343260365e-10 3.735820861545294e-10 ] [ -4.481906768988554e-09 -2.7279638075656116e-09 1.1166466089262851e-10 ] [ -8.661575095005506e-10 1.9335996722254468e-10 1.5050414588107588e-10 ] [ -7.371125968431458e-10 1.2529325588213956e-10 -1.9774764005096894e-09 ] [ -1.414380211893184e-09 -1.251695678470138e-10 1.7354636164962971e-09 ] [ -4.144202864774248e-10 -3.7931787845699337e-10 -4.46538480323954e-10 ] [ 5.809056634979943e-10 -7.86568104121014e-10 -3.448402231880768e-09 ] [ 3.124923413011896e-09 -2.479665204015835e-09 2.9810123841430744e-09 ] [ 3.1478683446160345e-09 9.70071320554735e-10 8.87152431939514e-11 ] [ 7.660086532875842e-11 -2.035957128910186e-09 -1.5446285194104716e-09 ] [ -4.410522270301796e-09 -3.776222148303697e-09 1.5211385273199365e-09 ] [ 2.3728722815740727e-09 4.676513229622081e-09 -8.669601999875715e-11 ] [ -1.10454440760341e-09 1.0732803341134292e-09 1.0186066977992775e-09 ] [ 2.1423504685027206e-11 1.4122323339153393e-09 -2.7751519144897237e-09 ] [ 4.09374070992553e-09 3.738926040054066e-09 9.985626671847593e-10 ] [ -1.0841115287230235e-09 -1.996312870605111e-09 -3.4658733270599436e-09 ] [ 7.4762335612858e-10 5.422968919429422e-10 5.6139376380454235e-09 ] [ 4.365763704005465e-09 -2.2122374127020165e-09 -2.8027266558749883e-09 ] [ -9.531436836853346e-10 1.304313081309155e-09 3.743930438729135e-09 ] [ -4.5137889622188395e-09 -7.607017636665084e-10 8.36552329683746e-10 ] [ 6.065254289705589e-10 1.186515448529766e-09 -1.7313130177424528e-09 ] [ 8.336669698073474e-10 5.5643733429750025e-09 -1.1819263340348086e-09 ] [ 1.0337403775063682e-10 1.8805844489314852e-09 1.685626791182679e-09 ] [ -1.9039578025640263e-10 -7.109951953121608e-10 -1.14221943062386e-09 ] [ -3.928216638877441e-12 4.110063685338241e-11 1.0848478890979431e-09 ] [ -1.1243740669860655e-09 -3.657088300222561e-10 -3.374685604904773e-09 ] [ 3.087418541148575e-09 -6.838501576965947e-10 2.0220511971476145e-09 ] [ 7.422708044738113e-11 1.0286335997452303e-09 -3.252617370342642e-09 ] [ 1.809935509531337e-09 -9.364815274820008e-10 4.052144519843334e-09 ] [ 3.0825413552971975e-10 3.460055823749819e-10 -2.706348682556737e-09 ] [ 1.7833267204307526e-10 2.170896449355514e-10 2.874608950837829e-09 ] [ 3.636624499333393e-09 -2.3497898832158692e-09 -1.623072528723798e-09 ] [ 3.894397894765595e-10 1.497245267373946e-09 2.0419452640304263e-10 ] [ 7.843109576976308e-10 -5.859541220301351e-10 1.3892031278209463e-09 ] [ 4.0138914314981003e-10 -2.9700765674001416e-10 -1.700979648651495e-10 ] [ 2.7271686473087085e-09 3.468415981357153e-09 -1.978495064405194e-09 ] [ 4.205024693653057e-10 -8.814079878832975e-10 1.2950069986249003e-09 ] [ 1.5548659473643974e-10 2.70633506405546e-09 -2.004688248890343e-10 ] [ -1.8794108545567493e-10 9.36129369060749e-10 1.0089779367435937e-09 ] [ 1.1522144492550588e-09 3.451345430333177e-09 -1.0726559658843034e-09 ] [ -1.2949257682702257e-09 -2.1769292852034743e-09 -2.9390504171383494e-10 ] [ 1.2688080463039166e-09 -6.65443711806196e-10 1.4347225677944952e-09 ] [ 1.331109645509697e-09 -2.781892912404078e-10 1.645776653181831e-10 ] [ 9.639840107016674e-10 -1.1883904758290883e-10 3.4132914925419084e-10 ] [ -5.547437214569512e-10 4.959329446725697e-10 -1.1082076242292072e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -243.89337 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.907602553821241e-17 } }