{ "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" [ [ 14.5842405 -2.3962365 13.2068205 ] [ -1.8299092 -5.0596022 -4.6227089 ] [ 8.6132143 7.87921 3.2072828 ] [ -23.5907643 19.3456619 -33.7145713 ] [ 0.6419137 -1.7521769 0.4896046 ] [ -19.1384146 9.081526 -3.318183 ] [ 31.2335542 -25.2882862 24.316065 ] [ -10.5138347 -1.810096 0.4356904 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.33665291612245e-08 -3.839194098207619e-09 2.115965904020217e-08 ] [ -2.931837738426831e-09 -8.106376355388246e-09 -7.406396124344086e-09 ] [ 1.379989058140024e-08 1.262388605237357e-08 5.138633518453963e-09 ] [ -3.779657102826328e-08 3.099516721008131e-08 -5.401669791715467e-08 ] [ 1.028459122711225e-09 -2.807296864685819e-09 7.844330435561356e-10 ] [ -3.066312043129738e-08 1.455020863838734e-08 -5.316315226136006e-09 ] [ 5.004167032372965e-08 -4.051630092973928e-08 3.895863085285315e-08 ] [ -1.684502015129578e-08 -2.900093492603597e-09 6.980529727870003e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -29.662148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.752400004830948e-18 } }