{ "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" [ [ -1.4726659 2.5205198 2.8175639 ] [ -1.486361 1.1185378 -0.7669401 ] [ 0.2747142 -0.5908771 -1.1532999 ] [ 2.6018136 -1.3820118 -2.606164 ] [ -0.2039137 1.2630848 1.3633874 ] [ 0.7583219 -2.3395435 -2.1228305 ] [ -0.3436021 1.6501731 4.6494934 ] [ -0.128307 -2.2398831 -2.1812102 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.359470875229391e-09 4.038317895823492e-09 4.514235008190069e-09 ] [ -2.381412844268909e-09 1.792095112641066e-09 -1.228773497774014e-09 ] [ 4.401406686417754e-10 -9.466894753861037e-10 -1.847790136550978e-09 ] [ 4.168564921599483e-09 -2.214226995629725e-09 -4.175535030770612e-09 ] [ -3.26705762800825e-10 2.023684936647844e-09 2.184387417373298e-09 ] [ 1.214965619220636e-09 -3.748361899044605e-09 -3.401149397021174e-09 ] [ -5.505112514777838e-10 2.643868761093061e-09 7.449309624043903e-09 ] [ -2.055704756849856e-10 -3.588688336145029e-09 -3.494683987490492e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.523469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.691487152151356e-18 } }