{ "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" [ [ -1.2497629 2.0756422 2.4388802 ] [ -0.9044375 0.8683831 -0.5481823 ] [ 0.3221273 -0.5549621 -1.1620736 ] [ 2.0741314 -1.1910394 -1.9097878 ] [ -0.2888819 0.8337133 0.9273049 ] [ 0.6930463 -1.7115299 -1.398547 ] [ -0.655389 1.1791691 3.124843 ] [ 0.0091662 -1.4993763 -1.4724373 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.002340916420078e-09 3.325545433384354e-09 3.907516869565246e-09 ] [ -1.449068629413375e-09 1.391303112180485e-09 -8.78284872232378e-10 ] [ 5.161048332335082e-10 -8.891473093755714e-10 -1.861847168908262e-09 ] [ 3.323124864925708e-09 -1.908255496853379e-09 -3.059817389058265e-09 ] [ -4.628398301655246e-10 1.335755968715032e-09 1.485706243373706e-09 ] [ 1.110382588140154e-09 -2.742173214172356e-09 -2.240719324950798e-09 ] [ -1.050048941980626e-09 1.889237179554809e-09 5.006550439518462e-09 ] [ 1.46858714625708e-11 -2.402265673433374e-09 -2.359104637090048e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.59817007419016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.101278996602552e-18 } }