{ "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" [ [ 1.6748703 1.9641934 -0.8322511 ] [ 1.3038538 -1.6923038 -0.7028094 ] [ 2.8540187 0.1121888 0.7097229 ] [ 0.0372367 -0.7952221 1.3756953 ] [ -0.2394047 1.08102 -1.7728471 ] [ -1.5964494 -1.1802143 2.1749117 ] [ -0.9248338 -0.6507528 -0.4176012 ] [ -3.1092918 1.1610908 -0.5348211 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.68343805964057e-09 3.146984770137016e-09 -1.333413266040797e-09 ] [ 2.089004092512109e-09 -2.711369605989409e-09 -1.12602479883556e-09 ] [ 4.572642074139055e-09 1.797462739564992e-10 1.137101446994718e-09 ] [ 5.96597706672678e-11 -1.274086267460411e-09 2.20410686516362e-09 ] [ -3.835686164097797e-10 1.73198498488668e-09 -2.840414199274661e-09 ] [ -2.557793926043319e-09 -1.890911774572666e-09 3.484592706753217e-09 ] [ -1.481747104693429e-09 -1.042620930670075e-09 -6.690708849703607e-10 ] [ -4.9816346702478e-09 1.860272549712367e-09 -8.568778697901773e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.282958292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.492735472032517e-18 } }