{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2261975 -0.3555145 0.108952 ] [ 0.0975781 -0.1086876 -0.1545382 ] [ -0.178809 -0.090346 0.502624 ] [ -0.3143678 -0.4896701 0.3712226 ] [ 0.4115968 0.6354796 0.0829327 ] [ -0.2045885 0.2651495 0.0405281 ] [ 0.1436822 -0.2856168 -0.4338618 ] [ 0.2711058 0.4292059 -0.5178595 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.62408346183408e-10 -5.695970202554017e-10 1.745603471894016e-10 ] [ 1.563373505220845e-10 -1.741367316908621e-10 -2.475974910605146e-10 ] [ -2.864835993886272e-10 -1.447502489827968e-10 8.052924218529791e-10 ] [ -5.036727394923302e-10 -7.845379861247981e-10 5.947641708325902e-10 ] [ 6.594507701560935e-10 1.018150558115336e-09 1.328728330398201e-10 ] [ -3.277869115845408e-10 4.248163299168096e-10 6.493317430544448e-11 ] [ 2.302042616651098e-10 -4.576085594677094e-10 -6.951232326182054e-10 ] [ 4.343593745232807e-10 6.876636584894227e-10 -8.297023837591776e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 146.21419 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.342609568472092e-17 } }