{ "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" [ 5.44972 0 0 ] "si-unit" "m" "si-value" [ 5.44972e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0609808 5.45304 0 ] "si-unit" "m" "si-value" [ -6.09808e-12 5.45304e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0674249 -0.145247 5.63878 ] "si-unit" "m" "si-value" [ -6.742489999999999e-12 -1.45247e-11 5.63878e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00897115 -0.00389651 -0.0378043 ] [ 1.32076 1.2724 1.76049 ] [ 0.246678 2.71711 2.69984 ] [ 1.36622 4.37217 4.08545 ] [ 2.70002 -0.0778066 3.30264 ] [ 4.02111 1.29847 4.36135 ] [ 2.82584 3.00896 0.436415 ] [ 4.07612 3.84466 1.60166 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.971150000000001e-13 -3.89651e-13 -3.78043e-12 ] [ 1.32076e-10 1.2724e-10 1.76049e-10 ] [ 2.46678e-11 2.71711e-10 2.69984e-10 ] [ 1.36622e-10 4.37217e-10 4.08545e-10 ] [ 2.70002e-10 -7.780660000000001e-12 3.30264e-10 ] [ 4.02111e-10 1.29847e-10 4.36135e-10 ] [ 2.82584e-10 3.00896e-10 4.36415e-11 ] [ 4.076120000000001e-10 3.84466e-10 1.60166e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4233226000000001 0.4961030000000001 -0.35262350000000003 ] [ 3.890238800000001 -4.496875900000001 -1.4944142000000002 ] [ -1.9310664000000004 4.882777700000001 2.9908157000000006 ] [ -11.935319600000001 -10.765423500000002 7.327433900000002 ] [ 8.948368600000002 9.613800400000002 -9.603527500000002 ] [ 1.3022563000000003 0.34742390000000006 1.5757964000000004 ] [ -6.898823200000002 -4.325583800000001 -6.376387400000001 ] [ 6.201022800000001 4.247778300000001 5.932906700000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.782375783641285e-10 7.948446346573021e-10 -5.64965132299299e-10 ] [ 6.2328497060402e-09 -7.204789492977721e-09 -2.394315512757803e-09 ] [ -3.093909464782498e-09 7.823072339956263e-09 4.791815031140355e-09 ] [ -1.912249018244223e-08 -1.72481099868145e-08 1.173984338175949e-08 ] [ 1.43368670833393e-08 1.540300636481986e-08 -1.538654736447644e-08 ] [ 2.086444615339294e-09 5.566344546731527e-10 2.524704172021318e-09 ] [ -1.105313333313711e-08 -6.930349292768931e-09 -1.021609890161201e-08 ] [ 9.935133837061256e-09 6.805691138672244e-09 9.505564486442048e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.796299 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.691063779547757e-18 } }