{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.739667 -12.9940644 -24.9528876 ] [ -23.4292936 -10.991807 19.854939 ] [ -20.9850741 31.7007827 -9.9657818 ] [ 11.4997759 -5.0962348 -8.7757252 ] [ 21.2016099 -36.6450174 18.3001049 ] [ 14.5978577 21.6814608 -12.98421 ] [ 12.8547912 12.3448801 18.5235608 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.521772648657727e-08 -2.081878619084958e-08 -3.997893313417022e-08 ] [ -3.753786644777906e-08 -1.761081619574578e-08 3.181111907321013e-08 ] [ -3.36217951087756e-08 5.07902529030011e-08 -1.596694260795414e-08 ] [ 1.842467209141928e-08 -8.165068250667364e-09 -1.406026174600541e-08 ] [ 3.396872370510183e-08 -5.87117901470892e-08 2.932000022896752e-08 ] [ 2.338834632070526e-08 3.473752959855167e-08 -2.080299770155757e-08 ] [ 2.059564592590558e-08 1.977867828279916e-08 2.967801604772734e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.544513 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.772246827672167e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1245854 3.240865 2.495709 ] [ 2.0251202 1.3025471 3.514698 ] [ 2.8202734 4.8678607 2.7624513 ] [ 5.4360835 2.2496561 2.3018509 ] [ 4.1560401 1.9927384 4.2739289 ] [ 4.5355557 4.187975 1.2828618 ] [ 3.7357106 4.2463217 4.8516481 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1245854e-10 3.240865e-10 2.495709e-10 ] [ 2.0251202e-10 1.3025471e-10 3.514698e-10 ] [ 2.8202734e-10 4.8678607e-10 2.7624513e-10 ] [ 5.436083499999999e-10 2.2496561e-10 2.3018509e-10 ] [ 4.1560401e-10 1.9927384e-10 4.2739289e-10 ] [ 4.5355557e-10 4.187975e-10 1.2828618e-10 ] [ 3.7357106e-10 4.2463217e-10 4.8516481e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.46e-05 -4e-06 -1e-06 ] [ -1.3e-05 4e-06 -7.6e-06 ] [ -7e-07 -1.27e-05 8.9e-06 ] [ 9.7e-06 7.2e-06 -8.9e-06 ] [ -1.03e-05 -7.2e-06 1.99e-05 ] [ -9.6e-06 4.1e-06 -1.2e-06 ] [ 9.2e-06 8.7e-06 -1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.339177866368e-14 -6.4087064832e-15 -1.6021766208e-15 ] [ -2.08282960704e-14 6.4087064832e-15 -1.217654231808e-14 ] [ -1.12152363456e-15 -2.034764308416e-14 1.425937192512e-14 ] [ 1.554111322176e-14 1.153567166976e-14 -1.425937192512e-14 ] [ -1.650241919424e-14 -1.153567166976e-14 3.188331475392e-14 ] [ -1.538089555968e-14 6.568924145279999e-15 -1.92261194496e-15 ] [ 1.474002491136e-14 1.393893660096e-14 -1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }