{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0204742 0.0419699 -2.4216276 ] [ 0.1526647 -0.9226259 2.5001573 ] [ 0.0042345 -1.7976084 -0.4358203 ] [ 0.3028797 0.9534332 3.8056907 ] [ -0.6469573 1.4830627 -1.3609507 ] [ -0.8260981 0.9680699 0.5224579 ] [ 0.5952576 -0.2770938 -2.7125798 ] [ -1.6024552 -0.4492075 0.1026725 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.237156526169583e-09 6.724319255731392e-11 -3.879875125004014e-09 ] [ 2.445958131614457e-10 -1.478209646724559e-09 4.005693574382453e-09 ] [ 6.784416900777601e-12 -2.880086151833695e-09 -6.982610955300423e-10 ] [ 4.852667742549177e-10 1.527568382534531e-09 6.097388665535987e-09 ] [ -1.036539860715892e-09 2.376128385120524e-09 -2.180483393601395e-09 ] [ -1.3235550623073e-09 1.551018961080194e-09 8.370698327322644e-10 ] [ 9.537078100735181e-10 -4.439532081286311e-10 -4.346031937614339e-09 ] [ -2.567416257319388e-09 -7.19709754388016e-10 1.64499479099088e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.065481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.778327047610661e-18 } }