{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2001918 0.960674 0.132193 ] [ -1.3234836 0.3626161 -0.7866664 ] [ 4.5101172 4.9339544 -4.2197032 ] [ -1.6020198 -1.1544934 -0.4748749 ] [ -0.464032 0.6358016 0.2517651 ] [ -3.4295351 -3.5815968 5.3024191 ] [ 0.1250915 -0.9515824 -0.019078 ] [ 0.98367 -1.2053735 -0.1860547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92291924243587e-09 1.539169423010419e-09 2.117965340334144e-10 ] [ -2.120454481932219e-09 5.809750377456749e-10 -1.260378514448901e-09 ] [ 7.226004334907958e-09 7.905066387773293e-09 -6.760709813754947e-09 ] [ -2.566718669618692e-09 -1.849702334347903e-09 -7.608334625847378e-10 ] [ -7.434612217030656e-10 1.018666458987233e-09 4.033721571533741e-10 ] [ -5.49472095743299e-09 -5.738350658092094e-09 8.495411915703377e-09 ] [ 2.004186767608032e-10 -1.524603074044754e-09 -3.05663255716224e-11 ] [ 1.576013076582336e-09 -1.931221241031869e-09 -2.980924905299577e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.622169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.707300635398652e-18 } }