{ "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" [ [ -3.0855777 -1.0903533 -0.1736645 ] [ 1.706235 0.9184266 3.0294845 ] [ 0.5178559 0.6918115 -0.8651128 ] [ 1.040129 -0.3525355 -2.4511666 ] [ -1.3365341 -0.7994004 -1.3433747 ] [ -0.1165433 0.6405722 2.1411953 ] [ 0.3663611 -1.0405986 -1.2082002 ] [ 0.9080741 1.0320774 0.8708391 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.943640452601837e-09 -1.746938565672129e-09 -2.782412017629216e-10 ] [ 2.733689826590688e-09 1.471481626440833e-09 4.853769238975978e-09 ] [ 8.296966159233428e-10 1.108404211300579e-09 -1.386063502514826e-09 ] [ 1.666470366416083e-09 -5.648241361020384e-10 -3.927201820205825e-09 ] [ -2.141363687921969e-09 -1.280780631538169e-09 -2.152323537314214e-09 ] [ -1.867229505708807e-10 1.026309802774422e-09 3.430573050226843e-09 ] [ 5.869751891905709e-10 -1.667222748557211e-09 -1.935750113685884e-09 ] [ 1.454895092974001e-09 1.65357028113605e-09 1.395238046498513e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.956658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.760891680970128e-18 } }