{ "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" [ [ -3.8338235 -1.4365548 -0.1225528 ] [ 2.2081757 0.8113828 3.9255567 ] [ 0.566482 0.7729568 -1.1897361 ] [ 1.3868672 -0.2104863 -2.8565438 ] [ -2.0418005 -1.0017774 -1.8464846 ] [ -0.2174612 1.049183 2.7888521 ] [ 0.5980888 -1.5166195 -1.7611689 ] [ 1.3334716 1.5319155 1.0620773 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.142462379973629e-09 -2.30161451505802e-09 -1.963512309735782e-10 ] [ 3.537887481158674e-09 1.299978552679242e-09 6.2894351683648e-09 ] [ 9.076042165040257e-10 1.238413313848381e-09 -1.906167364341771e-09 ] [ 2.222006203994358e-09 -3.37236228858695e-10 -4.576687692651191e-09 ] [ -3.27132502543775e-09 -1.60502432952581e-09 -2.95839445678724e-09 ] [ -3.48411250571113e-10 1.680976473540806e-09 4.468233633488984e-09 ] [ 9.58243892522327e-10 -2.429892305549386e-09 -2.821703636860053e-09 ] [ 2.136457022020769e-09 2.454399199141142e-09 1.701635419542388e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.668889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.71478600457103e-18 } }