{ "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" [ [ 0.3954513 1.1121407 0.3135147 ] [ -0.9109258 -0.1962795 -1.3576959 ] [ 1.0995731 1.1575085 -1.0043219 ] [ -0.4092319 -1.1538566 1.3553322 ] [ -0.0132236 1.2666161 0.8699453 ] [ -0.0512318 -1.8811669 0.8926221 ] [ -1.196041 0.3212252 -0.6684022 ] [ 1.0856297 -0.6261876 -0.4009944 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.33582827524967e-10 1.781845828580147e-09 5.023059226171258e-10 ] [ -1.459464020043537e-09 -3.144744260423136e-10 -2.175268629136015e-09 ] [ 1.761710313680581e-09 1.854533057077277e-09 -1.609101067937436e-09 ] [ -6.556617826655635e-10 -1.848682068275777e-09 2.17148156425743e-09 ] [ -2.118654276281088e-11 2.029342702948875e-09 1.393806021034842e-09 ] [ -8.208239220150144e-11 -3.013961627002812e-09 1.4301382598294e-09 ] [ -1.916268927718253e-09 5.146595054518042e-10 -1.070898378131286e-09 ] [ 1.739370524186117e-09 -1.003263132954862e-09 -6.424638527517235e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.342684 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.739910257152222e-18 } }