{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1515051 0.6129927 0.4125648 ] [ 0.5354239 0.8367141 2.920626 ] [ 0.0380374 2.448484 2.393252 ] [ 2.476891 0.0370714 1.494005 ] [ 2.980221 0.9767319 2.515602 ] [ 2.390623 2.921281 2.114549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.515051e-11 6.129927e-11 4.125648000000001e-11 ] [ 5.354239e-11 8.367141000000001e-11 2.920626e-10 ] [ 3.80374e-12 2.448484e-10 2.393252e-10 ] [ 2.476891e-10 3.707139999999999e-12 1.494005e-10 ] [ 2.980221e-10 9.767319e-11 2.515602e-10 ] [ 2.390623e-10 2.921281e-10 2.114549e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.400887 -1.4397836 4.3075377 ] [ 128.3860261 -375.1904047 123.8562156 ] [ -108.9628041 381.8569571 -123.3326174 ] [ -579.366022 -1081.9314202 -1194.0549917 ] [ 570.9363222 1063.3335351 1198.1207054 ] [ -15.3944092 13.3711162 -8.8968496 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.050998320274357e-09 -2.306787641936402e-09 6.901436253014101e-09 ] [ 2.056970911495341e-07 -6.011212997113437e-07 1.984395346099863e-07 ] [ -1.745776587041394e-07 6.118022941959603e-07 -1.976006378083418e-07 ] [ -9.282467029819299e-07 -1.733445241034875e-06 -1.913087007412804e-06 ] [ 9.147408349307353e-07 1.703648144085839e-06 1.919600998903477e-06 ] [ -2.466456271447463e-08 2.142288994613887e-08 -1.425432454533224e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 396.01601 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.344875979119103e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0004663 0.6166351 0.4724857 ] [ 0.6831078 0.4056856 3.1250311 ] [ 0.0034705 2.7052114 2.0289476 ] [ 2.2705025 -0.4972321 1.0728629 ] [ 3.2045627 1.1344961 2.8755654 ] [ 2.4105916 3.4684792 2.2757061 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.663e-14 6.166351000000001e-11 4.724857e-11 ] [ 6.831078e-11 4.056856e-11 3.1250311e-10 ] [ 3.4705e-13 2.7052114e-10 2.0289476e-10 ] [ 2.2705025e-10 -4.972321e-11 1.0728629e-10 ] [ 3.2045627e-10 1.1344961e-10 2.8755654e-10 ] [ 2.4105916e-10 3.4684792e-10 2.2757061e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 -2.78e-05 1.2e-06 ] [ -9.9e-06 -1.46e-05 1.79e-05 ] [ 1.94e-05 1.13e-05 -2.03e-05 ] [ -4.6e-06 -1.47e-05 -4.3e-06 ] [ -1.13e-05 -1.5e-06 -3.33e-05 ] [ 8.4e-06 4.73e-05 3.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.364570931399999e-15 -4.454051042519999e-14 1.9226119608e-15 ] [ -1.58615486766e-14 -2.33917788564e-14 2.86789617486e-14 ] [ 3.10822266996e-14 1.81045959642e-14 -3.252418567019999e-14 ] [ -7.370012516399999e-15 -2.35519965198e-14 -6.8893595262e-15 ] [ -1.81045959642e-14 -2.403264951e-15 -5.33524819122e-14 ] [ 1.34582837256e-14 7.578295478819998e-14 6.200423573579999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.426274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.272649892248171e-18 } }