{ "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" [ 5.47373 0 0 ] "si-unit" "m" "si-value" [ 5.47373e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.128217 5.8305 0 ] "si-unit" "m" "si-value" [ -1.28217e-11 5.8305e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.28854 -0.0943746 5.99929 ] "si-unit" "m" "si-value" [ 2.8854e-11 -9.437460000000001e-12 5.99929e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.153552 -0.151682 0.285368 ] [ 1.56659 1.11428 1.80298 ] [ 0.0114317 2.78427 2.63644 ] [ 1.58247 4.14354 3.67768 ] [ 2.87662 -0.0580046 2.88139 ] [ 4.22527 1.43863 4.17233 ] [ 2.56962 2.98931 0.105287 ] [ 4.06718 4.1162 1.17836 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.53552e-11 -1.51682e-11 2.85368e-11 ] [ 1.56659e-10 1.11428e-10 1.80298e-10 ] [ 1.14317e-12 2.78427e-10 2.63644e-10 ] [ 1.58247e-10 4.14354e-10 3.67768e-10 ] [ 2.87662e-10 -5.800460000000001e-12 2.88139e-10 ] [ 4.22527e-10 1.43863e-10 4.17233e-10 ] [ 2.56962e-10 2.98931e-10 1.05287e-11 ] [ 4.067179999999999e-10 4.1162e-10 1.17836e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9651634 2.4546312 -1.6676807 ] [ -3.3295009 2.6955106 -3.4719676 ] [ -0.1005016 -0.4314584 -0.1178996 ] [ -0.9400757 -1.29223 2.3641544 ] [ 4.0108241 -1.212325 0.4967673 ] [ -0.1023684 0.0577828 1.3236785 ] [ -1.3864811 -2.0441406 -2.0120758 ] [ -0.1170599 -0.2277706 3.0850235 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.148538855531839e-09 3.932752721326249e-09 -2.671919028499379e-09 ] [ -5.33444850091256e-09 4.318684064438581e-09 -5.562705316895087e-09 ] [ -1.610213138729933e-10 -6.912725613277747e-10 -1.888959827216717e-10 ] [ -1.506167308322194e-09 -2.070380694696384e-09 3.787792907641451e-09 ] [ 6.426048603161201e-09 -1.94235877181136e-09 7.959089540379399e-10 ] [ -1.640122571887027e-10 9.257825124436224e-11 2.120766746155613e-09 ] [ -2.221387603601067e-09 -3.275074278948084e-09 -3.223700806037457e-09 ] [ -1.875506350131859e-10 -3.649287302255885e-10 4.94275252631859e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.168692 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.9937749623316e-18 } }