{ "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" [ [ -1.140907 1.7394703 1.7886236 ] [ -0.9933849 0.8122641 -0.4569666 ] [ 0.3277897 -0.5191927 -0.9474057 ] [ 1.8786556 -0.9196843 -1.4459364 ] [ -0.1937313 0.6721229 0.7855334 ] [ 0.5741929 -1.5278589 -1.0400467 ] [ -0.4611231 1.0013661 2.646326 ] [ 0.0085081 -1.2584874 -1.3301276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.827934521907066e-09 2.786938647235962e-09 2.865690915331131e-09 ] [ -1.591578062235746e-09 1.301390550935153e-09 -7.321412030064653e-10 ] [ 5.251769938790458e-10 -8.318384056300281e-10 -1.517911262952659e-09 ] [ 3.009938080854997e-09 -1.473496683976814e-09 -2.316645495243717e-09 ] [ -3.103917595771911e-10 1.076859596684296e-09 1.258563248337535e-09 ] [ 9.199584402093524e-10 -2.447899809461205e-09 -1.666338507280192e-09 ] [ -7.388006501308204e-10 1.604365354281675e-09 4.239881648215181e-09 ] [ 1.363147890742848e-11 -2.016319089851378e-09 -2.131099343400814e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.956776240654236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.716775045691313e-18 } }