{ "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" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9761961 2.4257649 -1.5301914 ] [ 2.0839879 -5.0521922 -3.0631209 ] [ 0.0330015 2.254033 7.1941468 ] [ -2.1336771 -1.6706552 1.3924367 ] [ -0.7953649 3.789596 2.3772086 ] [ 4.4063686 -7.2137836 -2.3140373 ] [ -5.6979396 4.39883 -1.4285962 ] [ 1.1274274 1.0684071 -2.6278463 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.564038568736139e-09 3.88650381033725e-09 -2.451636886429221e-09 ] [ 3.338916691410088e-09 -8.094504226628118e-09 -4.907660692663854e-09 ] [ 5.28742317513312e-11 3.611358975111687e-09 1.152629380956314e-08 ] [ -3.418527565956344e-09 -2.676684702857948e-09 2.230929526683904e-09 ] [ -1.27431504778493e-09 6.071602113477197e-09 3.808708041684699e-09 ] [ 7.059780753547228e-09 -1.155775543143046e-08 -3.707496461719156e-09 ] [ -9.129105613850503e-09 7.047702584873665e-09 -2.288863432203721e-09 ] [ 1.80633782192933e-09 1.711776877116728e-09 -4.210273904915783e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.086262 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.577303289246346e-18 } }