{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5976222 2.8212455 3.4215169 ] [ -1.9435529 1.0845502 -0.9726241 ] [ -0.0725954 -0.2277048 -0.8823095 ] [ 3.2773094 -1.948979 -3.3726949 ] [ -0.2010732 2.1593537 0.7788527 ] [ 0.6687239 -2.5560862 -2.9836353 ] [ -0.180247 1.4302771 6.4258723 ] [ 0.0490574 -2.7626566 -2.4149781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.559672937711062e-09 4.520133581637206e-09 5.481874384852092e-09 ] [ -3.113915017668041e-09 1.737640974523964e-09 -1.558315593846641e-09 ] [ -1.163106526576243e-10 -3.648233070039399e-10 -1.413615653209737e-09 ] [ 5.250828499808076e-09 -3.122608588230163e-09 -5.403652917871394e-09 ] [ -3.221547801094426e-10 3.459666014177977e-09 1.247859586986956e-09 ] [ 1.071413798350197e-09 -4.095301550389513e-09 -4.780310722653594e-09 ] [ -2.887875293693376e-10 2.291556530885624e-09 1.029538236730632e-08 ] [ 7.859861935723393e-11 -4.426263815818818e-09 -3.869221451564004e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.056454 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.616663100695065e-18 } }