{ "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" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2802208 0.1505153 1.5797002 ] [ -0.3506766 -0.4481316 -0.2122706 ] [ 1.3607688 1.2529668 0.5725416 ] [ -1.3003445 0.3257909 -2.6594686 ] [ 0.1448498 -0.0039334 -0.2524613 ] [ -1.8185456 0.5856311 -0.486881 ] [ 2.4473654 -1.5772736 1.1373776 ] [ -1.7636381 -0.2855655 0.3214621 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.051139835221873e-09 2.411520947326982e-10 2.530958728313084e-09 ] [ -5.618458499816334e-10 -7.179859725616974e-10 -3.400949926031885e-10 ] [ 2.180191957674071e-09 2.007474113598589e-09 9.173127659554253e-10 ] [ -2.083381556885866e-09 5.219745632493907e-10 -4.260938414671707e-09 ] [ 2.320749630875558e-10 -6.302001520254721e-12 -4.044875925167751e-10 ] [ -2.913631244178709e-09 9.382844568333868e-10 -7.800693553117249e-10 ] [ 3.92111162643484e-09 -2.527070886525051e-09 1.822279799741614e-09 ] [ -2.825659731372133e-09 -4.575263678070624e-10 5.150390610932717e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.142931 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.707906298498757e-18 } }