{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.39143e-10 0.0 0.0 ] "source-value" [ 5.39143 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] "source-value" [ 0.144963 5.17841 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] "source-value" [ -0.144779 0.421312 5.38784 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.597676666867936e-09 -1.030113482224564e-08 1.774881807680177e-09 ] [ 8.847757310966863e-09 -4.150479071250906e-09 1.114383518427639e-08 ] [ -8.206150302271945e-09 8.313832112302927e-09 -8.693126278545934e-09 ] [ 1.786078939429962e-09 5.175652289930532e-09 -3.733360719344055e-09 ] [ -6.097855379585625e-09 -8.727482232478732e-10 -9.168234291719004e-09 ] [ -1.206373850960998e-08 1.613326456295939e-08 -8.005510044484486e-09 ] [ 8.935510927753012e-09 -6.180329503970913e-09 -2.822100656226687e-09 ] [ 1.200720506667441e-09 -8.11805718425985e-09 1.950361483814594e-08 ] ] "source-value" [ [ 3.493795 -6.4294627 1.1077941 ] [ 5.5223358 -2.5905253 6.9554349 ] [ -5.1218762 5.1890859 -5.4258227 ] [ 1.1147828 3.2303881 -2.3301805 ] [ -3.805982 -0.5447266 -5.7223618 ] [ -7.5295934 10.0695918 -4.9966464 ] [ 5.5771073 -3.8574583 -1.7614167 ] [ 0.7494308 -5.0668928 12.173199 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.746945755298201e-18 "source-value" -17.145087 } }