{ "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" [ 5.47042 0 0 ] "si-unit" "m" "si-value" [ 5.47042e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0146058 5.3888 0 ] "si-unit" "m" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.134413 -0.103851 5.39218 ] "si-unit" "m" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0813222 0.0658783 -0.0148119 ] [ 1.29496 1.3028 1.25678 ] [ 0.00731236 2.63688 2.91411 ] [ 1.38293 3.97853 4.11798 ] [ 2.91023 -0.000259257 2.64672 ] [ 4.15592 1.24599 4.16086 ] [ 2.63613 2.74458 -0.00927687 ] [ 4.0418 4.10114 1.35651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.13222e-12 6.58783e-12 -1.48119e-12 ] [ 1.29496e-10 1.3028e-10 1.25678e-10 ] [ 7.31236e-13 2.63688e-10 2.91411e-10 ] [ 1.38293e-10 3.97853e-10 4.11798e-10 ] [ 2.91023e-10 -2.59257e-14 2.64672e-10 ] [ 4.15592e-10 1.24599e-10 4.16086e-10 ] [ 2.63613e-10 2.74458e-10 -9.27687e-13 ] [ 4.0418e-10 4.10114e-10 1.35651e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3709999 -1.640168 1.214829 ] [ 1.3658466 1.4339968 3.1697195 ] [ -0.536914 0.266809 -3.9479434 ] [ 1.8351024 1.0436585 -1.6190529 ] [ -4.9338839 0.6318404 1.8480507 ] [ -0.2027431 1.2063835 -1.5743198 ] [ -0.0122199 -0.1875959 1.2373377 ] [ 2.8558119 -2.7549244 -0.3286208 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.944073660991379e-10 -2.627838823784295e-09 1.946370622069843e-09 ] [ 2.188327490119169e-09 2.297516147262014e-09 5.078450477393866e-09 ] [ -8.602310581802112e-10 4.274751420190272e-10 -6.325302615721663e-09 ] [ 2.94015816205397e-09 1.672125248799197e-09 -2.594008704218441e-09 ] [ -7.904953434321524e-09 1.01231991695692e-09 2.960903625593074e-09 ] [ -3.248302548485165e-10 1.932839439418877e-09 -2.522338377222532e-09 ] [ -1.957843808851392e-11 -3.005617651379347e-10 1.982433534974445e-09 ] [ 4.575515059582427e-09 -4.413875465751468e-09 -5.265085628685926e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.411091 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.67348221172213e-18 } }