{ "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" [ [ -3.785075 -1.2742718 -0.3250574 ] [ 1.8018622 1.6521243 3.0236368 ] [ 0.3386064 0.5443297 -1.0141214 ] [ 1.4525239 -0.4023306 -2.6992088 ] [ -1.1946955 -1.3236753 -1.0869651 ] [ -0.0420156 0.8772401 2.5106779 ] [ 0.3591179 -1.2975058 -1.5182614 ] [ 1.0696758 1.2240894 1.1092995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.06435867297456e-09 -2.041608486504733e-09 -5.207993666980339e-10 ] [ 2.886901490743254e-09 2.646994928115566e-09 4.844400190750526e-09 ] [ 5.425072577332531e-10 8.721123193470779e-10 -1.624801597732965e-09 ] [ 2.327199833733238e-09 -6.446046811524364e-10 -4.324609234017623e-09 ] [ -1.914113199074966e-09 -2.120761619190427e-09 -1.741510070845534e-09 ] [ -6.731641202888449e-11 1.405493579048254e-09 4.022549433739241e-09 ] [ 5.753703034907923e-10 -2.0788334581124e-09 -2.432522919343077e-09 ] [ 1.713809558595537e-09 1.961207418449099e-09 1.77729372436513e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.004831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.608392184325509e-18 } }