{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.4996451 0.6233495 5.4552278 ] [ -1.3364483 1.7646285 0.5124178 ] [ 2.0893886 -0.359286 1.2434343 ] [ 4.2698877 -2.8028336 -3.2004789 ] [ -2.9003513 0.8190678 3.5253204 ] [ -2.1526961 1.4018314 0.9098866 ] [ 0.1477864 -0.7306187 -2.8042188 ] [ 3.382078 -0.7161389 -5.6415893 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.607049606512593e-09 9.98716003715583e-10 8.740238514307224e-09 ] [ -2.141226238809022e-09 2.827246550390469e-09 8.209838260056851e-10 ] [ 3.347569594265972e-09 -5.756396341233239e-10 1.992201381374146e-09 ] [ 6.841114302744001e-09 -4.490634502910102e-09 -5.127732511190022e-09 ] [ -4.646875083251524e-09 1.312291290821785e-09 5.648185972243534e-09 ] [ -3.448999391522927e-09 2.245981513887508e-09 1.457799050109704e-09 ] [ 2.367799169029776e-10 -1.170580209503456e-09 -4.492853837983519e-09 ] [ 5.418686345965452e-09 -1.147381012278462e-09 -9.038822555084414e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -327.86836 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.253030254199002e-17 } }