{ "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" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4210846 0.2358508 0.4398384 ] [ -0.0478645 -0.1201079 -1.4211933 ] [ -0.4881021 0.2855339 0.2918916 ] [ -0.4267778 0.900091 -0.518411 ] [ 0.7028052 -0.0295792 0.0186487 ] [ 0.1934236 -0.7946414 -0.9389154 ] [ -0.1557616 -0.9934972 1.5228965 ] [ -0.1988075 0.5163501 0.6052445 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.746519014989196e-10 3.778746377569767e-10 7.046988014100787e-10 ] [ -7.668738286628159e-11 -1.924340693533843e-10 -2.277002678897601e-09 ] [ -7.820257731833837e-10 4.574757390258451e-10 4.676618973279052e-10 ] [ -6.837734134364583e-10 1.442104756792493e-09 -8.305859841655487e-10 ] [ 1.126018060416668e-09 -4.739110270196736e-11 2.987851114831296e-11 ] [ 3.098987698309709e-10 -1.273155872999781e-09 -1.50430830278908e-09 ] [ -2.495575939384013e-10 -1.591757986670262e-09 2.439949168198147e-09 ] [ -3.185247285396961e-10 8.272840583677421e-10 9.697085877677856e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.584815 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.778703919889316e-18 } }