{ "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" [ [ 0.479905 0.0995843 0.5383625 ] [ -1.783266 0.2392924 1.4847489 ] [ 1.1136197 -2.5433887 0.1841504 ] [ -0.3141917 0.5725114 0.0949387 ] [ -0.8289636 0.6058799 0.5823967 ] [ -0.4203298 1.0316212 1.0414124 ] [ 2.2541358 0.2558893 -1.6959894 ] [ -0.5009094 -0.2613897 -2.2300202 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.688925712050241e-10 1.595516372587334e-10 8.6255181101544e-10 ] [ -2.857107093867533e-09 3.833886888151219e-10 2.378829975338517e-09 ] [ 1.78421544780231e-09 -4.074957912746904e-09 2.950414655909683e-10 ] [ -5.033905961894074e-10 9.172643802214772e-10 1.52108565549145e-10 ] [ -1.328146099414203e-09 9.707266107926421e-10 9.331023767710714e-10 ] [ -6.734425785855399e-10 1.652839368161641e-09 1.668526599891218e-09 ] [ 3.611523678868304e-09 4.099798539728775e-10 -2.71727456580462e-09 ] [ -8.025453298189556e-10 -4.187924662579258e-10 -3.57288622835174e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.149659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.791813849969231e-18 } }