{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42981e-10 0.0 0.0 ] "source-value" [ 5.42981 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] "source-value" [ 0.0370196 5.47054 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] "source-value" [ -0.0339139 -0.0143321 5.52419 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -6.739080429374146e-09 -2.927997641502098e-09 -2.366059185711782e-10 ] [ 4.308084865003678e-09 1.375274765585683e-09 7.240663129464643e-09 ] [ 1.879631954930419e-10 1.05804507640858e-09 -2.474221488511342e-09 ] [ 3.021704626175814e-09 1.353736705272269e-10 -5.184189488054465e-09 ] [ -3.132779205419002e-09 -1.688655225431315e-09 -3.571549692614669e-09 ] [ -1.640998962498605e-10 1.904659235488612e-09 5.075769074601295e-09 ] [ 4.479871684244813e-10 -2.411913640816741e-09 -3.38633743437954e-09 ] [ 2.070219675945993e-09 2.555213599522389e-09 2.536471818065257e-09 ] ] "source-value" [ [ -4.2062032 -1.8275124 -0.1476778 ] [ 2.6888951 0.858379 4.5192665 ] [ 0.1173174 0.6603798 -1.5442876 ] [ 1.8859997 0.0844936 -3.2357166 ] [ -1.955327 -1.0539757 -2.229186 ] [ -0.1024231 1.1887948 3.1680459 ] [ 0.2796116 -1.5053981 -2.1135856 ] [ 1.2921295 1.5948389 1.5831412 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.681260779216113e-18 "source-value" -35.459641 } }