{ "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" [ [ -0.5431932 1.0465247 1.3351041 ] [ -0.0887628 0.9171448 0.0172065 ] [ 0.4321515 -1.0122048 -1.6531144 ] [ 0.3940917 -0.1366882 -0.4704424 ] [ 0.0355685 0.0377509 0.4351425 ] [ 0.3783963 -0.6461316 -0.1853362 ] [ -0.1459967 0.5991234 1.2700622 ] [ -0.4622552 -0.8055192 -0.7486224 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.702914456175386e-10 1.676717407429734e-09 2.139072575354225e-09 ] [ -1.422136829567463e-10 1.469427956448292e-09 2.75678520257952e-11 ] [ 6.923830299436513e-10 -1.62173086602154e-09 -2.64858124318782e-09 ] [ 6.314045081913273e-10 -2.189986383792346e-10 -7.537318147130419e-10 ] [ 5.698701913692481e-11 6.048360939415871e-11 6.971751402164641e-10 ] [ 6.062577052572231e-10 -1.035216943480097e-09 -2.96941326627913e-10 ] [ -2.339124994539514e-10 9.599015044542067e-10 2.034863963801814e-09 ] [ -7.406144742832282e-10 -1.290584029845519e-09 -1.199425307087186e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 687.18894 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.100998053740334e-16 } }