{ "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" [ 5.51396 0 0 ] "si-unit" "m" "si-value" [ 5.51396e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0181329 5.46551 0 ] "si-unit" "m" "si-value" [ 1.81329e-12 5.46551e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.147171 -0.00272143 5.46493 ] "si-unit" "m" "si-value" [ 1.47171e-11 -2.72143e-13 5.46493e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0812176 -0.117418 -0.0378641 ] [ 1.41633 1.35692 1.32004 ] [ 0.0825096 2.73802 2.72856 ] [ 1.5042 4.09281 4.08646 ] [ 2.79856 -0.0135645 2.62504 ] [ 4.22175 1.43085 4.07963 ] [ 2.7526 2.68069 -0.168753 ] [ 4.2604 4.00574 1.18537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.12176e-12 -1.17418e-11 -3.78641e-12 ] [ 1.41633e-10 1.35692e-10 1.32004e-10 ] [ 8.25096e-12 2.73802e-10 2.72856e-10 ] [ 1.5042e-10 4.09281e-10 4.08646e-10 ] [ 2.79856e-10 -1.35645e-12 2.62504e-10 ] [ 4.22175e-10 1.43085e-10 4.07963e-10 ] [ 2.7526e-10 2.68069e-10 -1.68753e-11 ] [ 4.2604e-10 4.00574e-10 1.18537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3212938 2.5726908 -0.88573 ] [ -0.4732749 -0.313576 -0.5917255 ] [ 0.1748615 0.0992444 -0.6850364 ] [ 0.0274745 -0.0763144 -1.0179704 ] [ 0.892415 -0.2129059 0.3646906 ] [ 0.7974957 -2.4206847 -1.2765443 ] [ -0.7460085 0.9611389 2.0595913 ] [ -1.9942571 -0.6095929 2.0327246 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.116946053009069e-09 4.121905086266767e-09 -1.41909591003282e-09 ] [ -7.582699862386866e-10 -5.02404140183184e-10 -9.480487698419669e-10 ] [ 2.80159009486191e-10 1.590070587353496e-10 -1.097549313519478e-09 ] [ 4.401900193083299e-11 -1.222691485177296e-10 -1.630968388983634e-09 ] [ 1.42980646083111e-09 -3.411128582207406e-10 5.842987579594403e-10 ] [ 1.277728976255474e-09 -3.878364464621299e-09 -2.045249449725886e-09 ] [ -1.195237387465389e-09 1.539914287608463e-09 3.299829056449684e-09 ] [ -3.195152127808601e-09 -9.766755006322985e-10 3.256783857476996e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.218853 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.802899998688081e-18 } }