{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.4937671 -6.4294372 1.1077767 ] [ 5.5223344 -2.5905269 6.9554304 ] [ -5.1218767 5.1890859 -5.4258227 ] [ 1.1147857 3.2303854 -2.3301795 ] [ -3.8059825 -0.5447268 -5.7223616 ] [ -7.5295636 10.0695689 -4.9966254 ] [ 5.5771034 -3.8574571 -1.7614165 ] [ 0.7494322 -5.0668922 12.1731985 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.597631966140216e-09 -1.030109396674181e-08 1.774853929806975e-09 ] [ 8.847755067919595e-09 -4.1504816347335e-09 1.114382797448159e-08 ] [ -8.206151103360255e-09 8.313832112302927e-09 -8.693126278545934e-09 ] [ 1.786083585742163e-09 5.175647964053656e-09 -3.733359117167434e-09 ] [ -6.097856180673936e-09 -8.727485436831974e-10 -9.168233971283682e-09 ] [ -1.206369076474668e-08 1.613322787311478e-08 -8.00547639877545e-09 ] [ 8.935504679264192e-09 -6.180327581358968e-09 -2.822100335791363e-09 ] [ 1.20072274971471e-09 -8.118056222953878e-09 1.950361403705763e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.145091 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.74694639616885e-18 } }