{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.5736665 -0.4389079 -1.2716324999999997 ] [ -0.4103621 -1.3708044 0.3228386999999999 ] [ 0.4231303 0.314807 2.0499866999999994 ] [ -2.8102564 -1.6381305 2.9779385999999994 ] [ 1.176023 2.9399356 -0.30176059999999993 ] [ -1.5622919 0.7076311 -1.9443793999999999 ] [ -0.5799861 -0.1034779 -2.8712220999999998 ] [ -0.8099232 -0.4110531 1.0382304999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.327821598008561e-09 -7.032079818580085e-10 -2.037379878535005e-09 ] [ -6.574725680991714e-10 -2.196270779464389e-09 5.172446216909356e-10 ] [ 6.779294797974101e-10 5.04376419619638e-10 3.284440790750766e-09 ] [ -4.502527139628957e-09 -2.624574410542737e-09 4.771183642406671e-09 ] [ 1.884196571646582e-09 4.71029612378477e-09 -4.834737823818202e-10 ] [ -2.503067577667464e-09 1.133750013911717e-09 -3.115239242310939e-09 ] [ -9.292401774647872e-10 -1.657898735153886e-10 -4.60020495964441e-09 ] [ -1.297640026374509e-09 -6.585796721532653e-10 1.663428647806137e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.569264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.698824366937737e-18 } }