{ "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" [ [ -1.744607 2.7878216 3.0979338 ] [ -1.5758828 1.0031392 -0.8518682 ] [ 0.0959846 -0.4041057 -0.9755288 ] [ 2.788116 -1.7118249 -2.8185623 ] [ -0.1213901 4.9404426 -1.9992367 ] [ 0.9920535 -2.5326019 -2.1958399 ] [ -0.6430418 -1.9496347 7.8154334 ] [ 0.2087678 -2.1332362 -2.0723312 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.795168570912838e-09 4.466582627280494e-09 4.963437148038828e-09 ] [ -2.524842600082495e-09 1.607206186889453e-09 -1.364843325287638e-09 ] [ 1.537842833438364e-10 -6.474487102062138e-10 -1.562969449154059e-09 ] [ 4.467054308081544e-09 -2.742645856279386e-09 -4.515834658533298e-09 ] [ -1.944883818189234e-10 7.915461695338207e-09 -3.203130326575267e-09 ] [ 1.589444937377919e-09 -4.057675587404004e-09 -3.518123379784897e-09 ] [ -1.030266546645301e-09 -3.123659161175599e-09 1.252170477806317e-08 ] [ 3.344828910915852e-10 -3.41782119444295e-09 -3.32024062654918e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.235048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.645277060346842e-18 } }