{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.5569957 1.8288406 -0.8847327 ] [ 1.1499824 -1.1807949 -0.6726324 ] [ 3.1328909 -0.2873307 0.9691088 ] [ 0.0160975 -0.8225777 1.084113 ] [ -0.1364873 0.8258159 -1.4025842 ] [ -1.5998066 -1.3120184 2.1528919 ] [ -0.8521892 -0.5251536 -0.2789948 ] [ -3.2674834 1.4732188 -0.9671694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.494582129778474e-09 2.93012567663054e-09 -1.417498059275732e-09 ] [ 1.842474930791241e-09 -1.891841998326366e-09 -1.077675914551342e-09 ] [ 5.019444596851231e-09 -4.603545337708637e-10 1.552683475163779e-09 ] [ 2.5791038365815e-11 -1.317914770589462e-09 1.736940517215642e-09 ] [ -2.186767628977482e-10 1.323102938965681e-09 -2.247187632457583e-09 ] [ -2.563172753438984e-09 -2.102085223858065e-09 3.449313097707864e-09 ] [ -1.365357623987152e-09 -8.413888271809823e-10 -4.469989495675031e-10 ] [ -5.235085555462875e-09 2.360356738129519e-09 -1.549576213799799e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.416314074190158 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.072142453207281e-18 } }