{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2196986 0.1928751 1.8641704 ] [ -0.1013139 -0.5520803 -0.1383767 ] [ 1.3260828 1.5671093 0.4861593 ] [ -1.0551627 0.3339754 -2.989405 ] [ -0.1485989 -0.0479706 -0.5128179 ] [ -1.965238 0.8336085 -0.3992182 ] [ 2.7196212 -1.9037093 1.1253089 ] [ -1.9950891 -0.423808 0.5641791 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.954172597442512e-09 3.090199785004134e-10 2.986730256674433e-09 ] [ -1.623227632794126e-10 -8.845301567517101e-10 -2.217039154300277e-10 ] [ 2.124618876909295e-09 2.510785903384096e-09 7.789130708617961e-10 ] [ -1.690557023008351e-09 5.350875822108035e-10 -4.789554840562769e-09 ] [ -2.380816854181026e-10 -7.68573744389604e-11 -8.216248568769485e-10 ] [ -3.148658403848892e-09 1.335588060603789e-09 -6.396180719075387e-10 ] [ 4.357313539971041e-09 -3.050078558388496e-09 1.802943625612243e-09 ] [ -3.196485138768089e-09 -6.79015274902272e-10 9.039145714111494e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.047524 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.775450066635422e-18 } }