{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5079052 0.4757796 -0.1750525 ] [ -0.6053922 1.2719603 -1.2165461 ] [ -0.0138149 0.1003823 0.686632 ] [ 0.2534373 -0.5124776 -0.5149785 ] [ 0.3941797 0.363636 2.890228 ] [ -1.1338796 0.3880049 -0.7054557 ] [ -0.5569902 -1.0429258 -0.9976523 ] [ 1.1545547 -1.0443597 0.032825 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.137538437270966e-10 7.622829580538664e-10 -2.80465025223285e-10 ] [ -9.699452372458548e-10 2.03790507203563e-09 -1.949121735603827e-09 ] [ -2.21339099810466e-11 1.608301755271782e-10 1.100105746556688e-09 ] [ 4.060513202440481e-10 -8.210796361683982e-10 -8.250865197123689e-10 ] [ 6.315455049371298e-10 5.82609102481224e-10 4.630655768532551e-09 ] [ -1.816675400889266e-09 6.216523846575066e-10 -1.130264638862114e-09 ] [ -8.923966838069867e-10 -1.670951347755757e-09 -1.598415203916358e-09 ] [ 1.84980056301488e-09 -1.673248708831249e-09 5.259144801104999e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.487865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.84600047275464e-18 } }