{ "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" [ [ 0.543119 1.5871562 0.4189816 ] [ -1.3299273 -0.2527081 -1.8642754 ] [ 1.5705966 1.6720879 -1.4360732 ] [ -0.5346869 -1.6737895 1.8565571 ] [ 0.0950064 1.8108581 1.2288381 ] [ -0.2170616 -2.7145059 1.2488678 ] [ -1.7445793 0.4577521 -0.9239905 ] [ 1.6175331 -0.8868509 -0.5289054 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.701725641122753e-10 2.542904557197769e-09 6.712825240653774e-10 ] [ -2.130778427423668e-09 -4.048830097067885e-10 -2.986898460612568e-09 ] [ 2.51637315322797e-09 2.678980141302568e-09 -2.300842906797442e-09 ] [ -8.566628506280275e-10 -2.681706405040522e-09 2.974532380800248e-09 ] [ 1.522170329063731e-10 2.901314511406309e-09 1.968815674568292e-09 ] [ -3.477710207934412e-10 -4.349117890003662e-09 2.00090679162993e-09 ] [ -2.79512416759163e-09 7.333997127421036e-10 -1.480395976941302e-09 ] [ 2.591573716190148e-09 -1.420891778115439e-09 -8.473998664948723e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.824287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.419248184662937e-18 } }