{ "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" [ [ 0.5813261 2.4765764 0.4419085 ] [ -1.9416029 -0.3461867 -2.7534144 ] [ 2.8844893 3.566606 -3.0043359 ] [ -0.966525 -2.9783994 2.8987532 ] [ 0.2590117 3.4849021 2.2318244 ] [ -1.0747244 -5.1126143 2.3937634 ] [ -2.7822947 0.9110019 -1.2775677 ] [ 3.0403199 -2.001886 -0.9309315 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.313870941543472e-10 3.967912840395837e-09 7.08015473065989e-10 ] [ -3.110790798886638e-09 -5.546522417415679e-10 -4.41145621539913e-09 ] [ 4.621461357483015e-09 5.714332795884203e-09 -4.81347677966736e-09 ] [ -1.54854377117685e-09 -4.771921925399619e-09 4.644314644772728e-09 ] [ 4.149824936726177e-10 5.583428716397531e-09 3.575776904871069e-09 ] [ -1.721898321669669e-09 -8.191311170114264e-09 3.835231786804396e-09 ] [ -4.45772755724204e-09 1.459585957709604e-09 -2.046889117293122e-09 ] [ 4.871129503665216e-09 -3.207374973131723e-09 -1.491516697154571e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.627537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.708160730837045e-18 } }