{ "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" [ [ -2.9729361 -0.4735324 0.518995 ] [ 1.2526696 0.0974106 2.8776148 ] [ 1.5675607 1.2897415 -0.4409087 ] [ 0.4843447 -0.7527133 -2.5606839 ] [ -2.2807985 -1.0076003 -1.0405084 ] [ -1.0964338 0.7572809 1.1574313 ] [ 1.9031718 -1.505117 -0.759846 ] [ 1.1424217 1.59453 0.247906 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.763168714552331e-09 -7.586825404713139e-10 8.31521655312096e-10 ] [ 2.006997946706888e-09 1.560689859381005e-10 4.610447156228068e-09 ] [ 2.511509105224883e-09 2.066393678175523e-09 -7.064136110473209e-10 ] [ 7.760057547483899e-10 -1.205979651425217e-09 -4.102667877838965e-09 ] [ -3.654242033455709e-09 -1.614353643771066e-09 -1.667078232226015e-09 ] [ -1.756680600614903e-09 1.213297753358383e-09 1.854409369042151e-09 ] [ 3.049217363325854e-09 -2.411463268968634e-09 -1.217407496608397e-09 ] [ 1.830361338834591e-09 2.554718687164224e-09 3.971891973560448e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -216.4349 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.467669367051859e-17 } }