{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6381404 -5.9757824 1.9231969 ] [ -3.5848405 4.9331791 7.639782 ] [ 6.3899779 -2.0599882 -4.6979633 ] [ -2.0234711 -0.1548466 -1.685276 ] [ 1.2267181 1.2134407 -0.2349788 ] [ -7.5537338 4.0103098 -6.7618479 ] [ 4.4144362 0.6087846 1.6503923 ] [ -2.5072272 -2.5750969 2.1666948 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.828943540091413e-09 -9.57425893114844e-09 3.081301135761234e-09 ] [ -5.743547685716876e-09 7.903824285357149e-09 1.224028020925379e-08 ] [ 1.023787328315639e-08 -3.300464960355718e-09 -7.52696702664953e-09 ] [ -3.241958115994277e-09 -2.480916043743443e-10 -2.700109829040984e-09 ] [ 1.965419076324875e-09 1.944146336284604e-09 -3.764775428453592e-10 ] [ -1.210241579381603e-08 6.425224656661212e-09 -1.083367470804197e-08 ] [ 7.07270653192375e-09 9.753804612590363e-10 2.644219979993518e-09 ] [ -4.017020835969245e-09 -4.125760083465835e-09 3.471427781569303e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -31.285788 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.012535850987759e-18 } }