{ "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" [ [ -28.7418374 -8.5171742 -8.2310054 ] [ 15.3900698 13.9502528 22.5909975 ] [ 6.2173776 5.1334754 -5.8237641 ] [ 7.1220449 -5.7478892 -13.7436707 ] [ -12.0461033 -8.7173968 -9.0643506 ] [ 3.3347606 4.5321915 17.5494221 ] [ 0.4798339 -8.9205981 -7.9503281 ] [ 8.2438539 8.2871386 4.6726992 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.604950030050731e-08 -1.364601749094764e-08 -1.318752452620782e-08 ] [ 2.465761022918905e-08 2.235076907455307e-08 3.619476833325241e-08 ] [ 9.961337115474996e-09 8.224734337093802e-09 -9.330698762948037e-09 ] [ 1.141077392507886e-08 -9.209133771060954e-09 -2.201978806093042e-08 ] [ -1.929998523801029e-08 -1.396680946226637e-08 -1.452269073370388e-08 ] [ 5.34287551330382e-09 7.261371322113409e-09 2.811727402882321e-08 ] [ 7.687786627810925e-10 -1.429237383712479e-08 -1.273782991445361e-08 ] [ 1.320811009268977e-08 1.327745982763947e-08 7.486489475950492e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.191316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.837182104491034e-18 } }