{ "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" [ [ -0.8795023 1.4688004 1.5565682 ] [ -1.0810481 0.2871142 -0.778295 ] [ -0.0600999 0.2183569 0.1855956 ] [ 1.8698246 -1.1229943 -1.8039441 ] [ -0.2722172 1.084123 0.846658 ] [ 0.4951255 -1.6370806 -1.5616763 ] [ -0.4222081 0.8994781 2.9354078 ] [ 0.3501254 -1.1977977 -1.3803142 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.409118022999828e-09 2.353277661501688e-09 2.493897178720739e-09 ] [ -1.732029991780261e-09 4.600076587396953e-10 -1.246966053085536e-09 ] [ -9.629065469241792e-11 3.498463201703635e-10 2.973569312433485e-10 ] [ 2.995789259116712e-09 -1.799235212751662e-09 -2.890237062250097e-09 ] [ -4.361400336196378e-10 1.736956524671559e-09 1.356495653413286e-09 ] [ 7.932785004619104e-10 -2.622892263685237e-09 -2.502081257117447e-09 ] [ -6.764519469323885e-10 1.441122782741604e-09 4.703041749673963e-09 ] [ 5.609627302282483e-10 -1.919083471388012e-09 -2.211507140598255e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.594382 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.863066329302436e-18 } }