{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.006149 -0.7243573 0.2715154 ] [ -1.4847045 -1.1434029 -0.7273209 ] [ 0.7291573 -0.2758791 -0.4035489 ] [ 0.65716 -0.6191433 0.5687597 ] [ -0.6622133 0.5817575 0.3955602 ] [ 0.0308999 0.6003945 0.4165408 ] [ 0.7358498 1.5806305 -0.5215063 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.8517840412992e-12 -1.160548331165812e-09 4.350156260671604e-10 ] [ -2.378758838696554e-09 -1.831933394534921e-09 -1.165296541799215e-09 ] [ 1.168238778945652e-09 -4.420070441873453e-10 -6.465566129295571e-10 ] [ 1.052886388124928e-09 -9.919769201849605e-10 9.112534941932217e-10 ] [ -1.060982667242817e-09 9.32078265475056e-10 6.337573045589722e-10 ] [ 4.950709736505792e-11 9.619380311569058e-10 6.673719313693286e-10 ] [ 1.178961345980356e-09 2.532449233223415e-09 -8.35545201459911e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -17.65092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.827989135961114e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5836567 2.4061332 1.3890811 ] [ 2.2973129 1.3162261 3.5358245 ] [ 1.5053132 4.3700153 2.3584597 ] [ 2.2424604 3.5011321 4.4186179 ] [ 4.530059 1.6563028 2.7417788 ] [ 3.7341661 4.564462 1.6035496 ] [ 4.4759568 3.8204815 3.7157643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5836567e-10 2.4061332e-10 1.3890811e-10 ] [ 2.2973129e-10 1.3162261e-10 3.5358245e-10 ] [ 1.5053132e-10 4.3700153e-10 2.3584597e-10 ] [ 2.2424604e-10 3.5011321e-10 4.4186179e-10 ] [ 4.530059e-10 1.6563028e-10 2.7417788e-10 ] [ 3.7341661e-10 4.564462e-10 1.6035496e-10 ] [ 4.4759568e-10 3.8204815e-10 3.7157643e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.3490503 0.0635527 0.081821 ] [ 0.0724749 0.0979946 -0.0463781 ] [ -0.1341008 -0.1666804 0.0490418 ] [ -0.0018325 -0.0103088 0.0283649 ] [ -0.4453034 0.2446128 0.0474783 ] [ 0.0421648 -0.066263 0.0532853 ] [ 0.1175467 -0.162908 -0.2136133 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.592402301432262e-10 1.018226501287162e-10 1.310916932904768e-10 ] [ 1.161175903748179e-10 1.570046570846477e-10 -7.430590753712447e-11 ] [ -2.148531665905766e-10 -2.670514400255923e-10 7.857362540194944e-11 ] [ -2.935988657616e-12 -1.651651834850304e-11 4.544557963132992e-11 ] [ -7.134546966427507e-10 3.919129093084263e-10 7.606862225532864e-11 ] [ 6.755545678070785e-11 -1.061650294240704e-10 8.537246189231425e-11 ] [ 1.883305745921914e-10 -2.610073889412864e-10 -3.422462351519367e-10 ] ] } "relaxed-potential-energy" { "source-value" -22.873158 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.664683899146449e-18 } }