{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5612e-10 0.0 0.0 ] "source-value" [ 5.5612 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] "source-value" [ -0.0917257 5.43287 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] "source-value" [ -0.0143429 0.0662566 5.45634 ] } "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" [ [ -1.389052843653915e-09 -9.977620595273452e-10 1.732582582496774e-10 ] [ 3.721192348126741e-09 2.796112069696015e-09 -7.645028636122914e-09 ] [ -9.428624362008298e-09 1.134520971960916e-09 -4.306421805671288e-09 ] [ 1.427320351588737e-09 8.887422718003336e-09 -3.242690123782502e-10 ] [ -1.673346908472557e-10 5.233726225687008e-10 7.293311774747766e-09 ] [ -2.156017355513468e-09 -1.008670959703048e-09 -8.177232296007802e-10 ] [ 3.486607575362702e-09 -7.160233062012173e-09 6.811668483138449e-09 ] [ 4.505908976944759e-09 -4.174762300986399e-09 -1.184795832362661e-09 ] ] "source-value" [ [ -0.8669785999999999 -0.6227540999999999 0.10813929999999998 ] [ 2.3225855999999996 1.7451958999999997 -4.771651599999999 ] [ -5.884884499999999 0.7081122999999999 -2.6878570999999996 ] [ 0.8908632999999999 5.547092999999999 -0.20239279999999998 ] [ -0.10444209999999998 0.32666349999999994 4.552127199999999 ] [ -1.3456801999999999 -0.6295628999999999 -0.5103826999999999 ] [ 2.1761692999999998 -4.469065999999999 4.251509099999999 ] [ 2.8123671999999997 -2.6056816999999994 -0.7394913999999999 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.603010633273903e-18 "source-value" -34.971242 } }