{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.422927 0.2017469 2.232361 ] [ 0.633062 2.288682 0.1533226 ] [ 0.4085169 2.174523 2.673779 ] [ 1.949891 1.221121 0.2190205 ] [ 2.589215 1.862387 2.264415 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.422927e-10 2.017469e-11 2.232361e-10 ] [ 6.33062e-11 2.288682e-10 1.533226e-11 ] [ 4.085169000000001e-11 2.174523e-10 2.673779e-10 ] [ 1.949891e-10 1.221121e-10 2.190205e-11 ] [ 2.589215e-10 1.862387e-10 2.264415e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9728835 -12.7049765 3.7371167 ] [ -11.8716355 9.6864997 -3.8971701 ] [ -7.2115196 4.8103569 3.9906162 ] [ 10.7251459 -8.3963283 -8.924339 ] [ 11.3308927 6.6044483 5.0937761 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.763084440062077e-09 -2.035561631611341e-08 5.987521005941247e-09 ] [ -1.902045684875932e-08 1.551948335672622e-08 -6.243954821500798e-09 ] [ -1.155412810356097e-08 7.707041362883965e-09 6.393671978225737e-09 ] [ 1.718357801564897e-08 -1.345240090282141e-08 -1.429836730189365e-08 ] [ 1.815409137673339e-08 1.058149265954231e-08 8.161128979009803e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.8623651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.188191064213854e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3126809 -0.0476314 2.2451101 ] [ 0.2874833 2.4713726 0.1969437 ] [ 0.3475015 2.2666369 2.5741295 ] [ 2.1992907 1.0435729 0.142998 ] [ 2.8566554 2.0145089 2.3837169 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3126809e-10 -4.76314e-12 2.2451101e-10 ] [ 2.874833e-11 2.4713726e-10 1.969437e-11 ] [ 3.475015000000001e-11 2.2666369e-10 2.5741295e-10 ] [ 2.1992907e-10 1.0435729e-10 1.42998e-11 ] [ 2.8566554e-10 2.0145089e-10 2.3837169e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.22e-05 1.8e-06 2.3e-06 ] [ -4e-06 1.2e-06 -1.7e-06 ] [ -4.3e-06 7.7e-06 -3.4e-06 ] [ -3e-06 -2e-07 -5.4e-06 ] [ -8e-07 -1.05e-05 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.954655477376e-14 2.88391791744e-15 3.68500622784e-15 ] [ -6.4087064832e-15 1.92261194496e-15 -2.72370025536e-15 ] [ -6.889359469440001e-15 1.233675998016e-14 -5.44740051072e-15 ] [ -4.8065298624e-15 -3.2043532416e-16 -8.65175375232e-15 ] [ -1.28174129664e-15 -1.68228545184e-14 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.878088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.903079489340503e-18 } }