{ "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" [ 5.42981 0 0 ] "si-unit" "m" "si-value" [ 5.42981e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0370196 5.47054 0 ] "si-unit" "m" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0339139 -0.0143321 5.52419 ] "si-unit" "m" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0865271 0.0202603 -0.0485063 ] [ 1.27669 1.31148 1.22292 ] [ -0.0137625 2.6467 2.79128 ] [ 1.29807 4.01993 4.311 ] [ 2.70854 -0.0697941 2.82717 ] [ 4.06866 1.27154 4.01384 ] [ 2.71531 2.7055 0.0603487 ] [ 4.06455 4.01651 1.33765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.65271e-12 2.02603e-12 -4.850630000000001e-12 ] [ 1.27669e-10 1.31148e-10 1.22292e-10 ] [ -1.37625e-12 2.6467e-10 2.79128e-10 ] [ 1.29807e-10 4.019929999999999e-10 4.311e-10 ] [ 2.70854e-10 -6.97941e-12 2.82717e-10 ] [ 4.06866e-10 1.27154e-10 4.01384e-10 ] [ 2.71531e-10 2.7055e-10 6.03487e-12 ] [ 4.06455e-10 4.016510000000001e-10 1.33765e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.590711 -1.3454592 -0.1147814 ] [ 2.0681497 0.759931 3.6766272 ] [ 0.5305599 0.7239416 -1.1142919 ] [ 1.2989224 -0.1971389 -2.6754032 ] [ -1.9123248 -0.9382522 -1.7293943 ] [ -0.2036714 0.9826516 2.612004 ] [ 0.5601625 -1.4204468 -1.6494887 ] [ 1.2489128 1.4347729 0.9947283 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.752953216249389e-09 -2.155663274480271e-09 -1.839000755826931e-10 ] [ 3.313541097654534e-09 1.217543681621165e-09 5.890606143237367e-09 ] [ 8.500506677139859e-10 1.159882306344545e-09 -1.785292430926812e-09 ] [ 2.081103101513426e-09 -3.158513366302291e-10 -4.286468458253506e-09 ] [ -3.063882085936036e-09 -1.503245739254166e-09 -2.770795115604782e-09 ] [ -3.263175554056052e-10 1.574381419911713e-09 4.184891742236084e-09 ] [ 8.9747926134888e-10 -2.275806654050173e-09 -2.642772231413785e-09 ] [ 2.000978889577866e-09 2.298759596537416e-09 1.593730426308129e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.407034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.352396884507072e-18 } }