{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 5.517305 2.823831 2.520754 ] [ 3.206819 2.056835 2.580452 ] [ 4.931014 5.152147 1.608787 ] [ 3.498861 3.411494 1.086096 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.517305000000001e-10 2.823831e-10 2.520754e-10 ] [ 3.206819e-10 2.056835e-10 2.580452e-10 ] [ 4.931014e-10 5.152147000000001e-10 1.608787e-10 ] [ 3.498861e-10 3.411494e-10 1.086096e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9085718 0.4565296 1.6989067 ] [ 0.1186603 -3.5433493 4.2005688 ] [ 0.5864697 -1.5485687 0.7119389 ] [ -2.6137018 4.6353883 -6.6114144 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.057869117078174e-09 7.314410518231756e-10 2.721948595660479e-09 ] [ 1.901147584771142e-10 -5.677071407788045e-09 6.730053125421911e-09 ] [ 9.396280421475897e-10 -2.481080566842649e-09 1.140651861018069e-09 ] [ -4.187611917702877e-09 7.426710762589856e-09 -1.059265358210046e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0564378 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.451001291088939e-18 } "relaxed-configuration-positions" { "source-value" [ [ 5.5282899 2.8944342 2.6494952 ] [ 3.3605058 2.030811 2.6040214 ] [ 4.9788252 4.9394005 1.6385477 ] [ 3.2863782 3.5796614 0.9040247 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.5282899e-10 2.8944342e-10 2.6494952e-10 ] [ 3.3605058e-10 2.030811e-10 2.6040214e-10 ] [ 4.9788252e-10 4.9394005e-10 1.6385477e-10 ] [ 3.2863782e-10 3.5796614e-10 9.040247000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.3262117 0.3561731 0.2894329 ] [ 0.4082986 -0.1614027 -0.2785063 ] [ 0.3541117 -0.4218206 -0.1438282 ] [ -0.4361985 0.2270502 0.1329016 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.226487591714233e-10 5.706522137778605e-10 4.637226256703443e-10 ] [ 6.54166471225371e-10 -2.585956324739962e-10 -4.46216282605511e-10 ] [ 5.673494868917433e-10 -6.758311034918285e-10 -2.304381794517465e-10 ] [ -6.988670387280288e-10 3.637745221879642e-10 2.129318363869133e-10 ] ] } "relaxed-potential-energy" { "source-value" -11.671893 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.870043408507918e-18 } }