{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3395127 2.9009551 0.6254041 ] [ -2.4684857 0.0966886 -3.177539 ] [ 4.2215489 5.2909656 -4.659002 ] [ -1.1893034 -4.0295412 3.381493 ] [ 0.9286701 4.7570461 3.1966762 ] [ -2.5574638 -7.3740127 3.1273455 ] [ -3.6852898 0.9079171 -1.6137403 ] [ 4.410811 -2.5500186 -0.8806375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.439593148862517e-10 4.647842477503133e-09 1.002007835827799e-09 ] [ -3.954950109903133e-09 1.549122156941724e-10 -5.090978739423725e-09 ] [ 6.763667006868402e-09 8.477061455617788e-09 -7.464544142159268e-09 ] [ -1.905474118216756e-09 -6.45603675638032e-09 5.417749072634561e-09 ] [ 1.487893534914443e-09 7.621628108280827e-09 5.121639914103911e-09 ] [ -4.097508742660849e-09 -1.181447084675925e-08 5.010559886545047e-09 ] [ -5.904485207078533e-09 1.454643563229041e-09 -2.58549700200415e-09 ] [ 7.066898321190173e-09 -4.085580217185392e-09 -1.410936825524175e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.19127 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.638263051478518e-18 } }