{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.44188e-10 0.0 0.0 ] "source-value" [ 5.44188 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.812590000000001e-12 5.43851e-10 0.0 ] "source-value" [ -0.0681259 5.43851 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.52152e-13 -1.7859e-12 5.5414e-10 ] "source-value" [ -0.00252152 -0.017859 5.5414 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -6.722197973885453e-10 -2.35696202685888e-11 -4.128895188686137e-09 ] [ 9.651060149892135e-10 1.511621598192384e-10 1.508438073246855e-10 ] [ -2.35263614998272e-12 4.389177272271187e-09 -6.600250863875854e-09 ] [ -9.405201340900513e-10 -3.227853968273894e-10 6.924742739022057e-09 ] [ 1.434041802948317e-09 3.786616269131136e-11 -4.41684045380592e-09 ] [ -1.951987052214058e-09 -3.435574404766332e-09 8.722723928132619e-09 ] [ -9.386519961501985e-10 -2.717823471514906e-10 -3.253455468932982e-09 ] [ 2.106583958272967e-09 -5.244936655502746e-10 2.601131500821531e-09 ] ] "source-value" [ [ -0.4195666 -0.014711 -2.5770537 ] [ 0.6023718 0.094348 0.0941493 ] [ -0.0014684 2.739509 -4.1195526 ] [ -0.5870265 -0.2014668 4.3220845 ] [ 0.8950585 0.0236342 -2.756775 ] [ -1.2183345 -2.1443169 5.4442961 ] [ -0.5858605 -0.1696332 -2.0306472 ] [ 1.3148263 -0.3273632 1.6234986 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.31502e-13 -1.37584e-12 3.07734e-12 ] [ 1.33409e-10 1.32426e-10 1.37744e-10 ] [ 3.962240000000001e-12 2.60036e-10 2.83022e-10 ] [ 1.35045e-10 4.04355e-10 3.98016e-10 ] [ 2.67673e-10 1.3858e-12 2.80413e-10 ] [ 4.08887e-10 1.41719e-10 3.918e-10 ] [ 2.72143e-10 2.70354e-10 1.7408e-12 ] [ 3.9766e-10 4.077740000000001e-10 1.36794e-10 ] ] "source-value" [ [ 0.00431502 -0.0137584 0.0307734 ] [ 1.33409 1.32426 1.37744 ] [ 0.0396224 2.60036 2.83022 ] [ 1.35045 4.04355 3.98016 ] [ 2.67673 0.013858 2.80413 ] [ 4.08887 1.41719 3.918 ] [ 2.72143 2.70354 0.017408 ] [ 3.9766 4.07774 1.36794 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.661549040032749e-18 "source-value" -35.33661 } }