{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0944846 -0.1525696 0.0290654 ] [ 0.0344299 -0.0509709 -0.0732564 ] [ -0.1006028 -0.0363928 0.2162154 ] [ -0.1345657 -0.2338804 0.1678693 ] [ 0.1914771 0.2998276 0.0477019 ] [ -0.0763111 0.111646 0.0404631 ] [ 0.0678694 -0.128948 -0.1932544 ] [ 0.1121879 0.1912882 -0.2348043 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.513810171456397e-10 -2.444434461648077e-10 4.656790435420033e-11 ] [ 5.516278083648192e-11 -8.166438432113473e-11 -1.173696914039731e-10 ] [ -1.611834541470182e-10 -5.830769332545024e-11 3.464152589369203e-10 ] [ -2.155980185015866e-10 -3.747177089433523e-10 2.689562678100615e-10 ] [ 3.067801330385837e-10 4.803767709905742e-10 7.642686894773951e-11 ] [ -1.222638603275309e-10 1.788766110058368e-10 6.482903282509248e-11 ] [ 1.087387659477235e-10 -2.065974708989184e-10 -3.096276815467315e-10 ] [ 1.797448305166483e-10 3.064774818749146e-10 -3.761979599233094e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 29.37739 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.706776743812371e-18 } }