{ "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" [ 5.5417 0 0 ] "si-unit" "m" "si-value" [ 5.5417e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0877832 5.55439 0 ] "si-unit" "m" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0308884 0.040745 5.63916 ] "si-unit" "m" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9338922 0.83649 -1.516126 ] [ -0.5570068 -0.2595874 -0.4268031 ] [ -0.7459618 -0.3588501 -1.3230398 ] [ -0.4379185 1.9682168 1.9105982 ] [ 0.4115904 -0.9824586 0.88471 ] [ 0.6418328 -1.1468296 -0.8826123 ] [ -0.8524338 0.1932091 -0.4301387 ] [ -0.3939944 -0.2501901 1.7834118 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.098436895514855e-09 1.34020473257466e-09 -2.429101651399884e-09 ] [ -8.924232799391111e-10 -4.159048667608116e-10 -6.838139541387653e-10 ] [ -1.195162565816581e-09 -5.749412453285633e-10 -2.119743453412033e-09 ] [ -7.016227882963289e-10 3.15343096760625e-09 3.061115793002458e-09 ] [ 6.594405216587135e-10 -1.574072212792352e-09 1.41746168986614e-09 ] [ 1.028329515094795e-09 -1.837423588299566e-09 -1.414100803940998e-09 ] [ -1.365749516391829e-09 3.095551054961694e-10 -6.891581745191357e-10 ] [ -6.312486216068495e-10 -4.008487322781234e-10 2.857340714759881e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.762359 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.72976159665196e-18 } }