{ "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" [ 5.44038 0 0 ] "si-unit" "m" "si-value" [ 5.44038e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0177809 5.34742 0 ] "si-unit" "m" "si-value" [ 1.77809e-12 5.34742e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.258508 -0.216411 5.45927 ] "si-unit" "m" "si-value" [ 2.58508e-11 -2.16411e-11 5.459270000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0111666 -0.0485116 -0.0844937 ] [ 1.40892 1.32935 1.34318 ] [ 0.251238 2.67562 2.78628 ] [ 1.4893 4.10816 4.17197 ] [ 2.79244 -0.0558727 2.81547 ] [ 4.18247 1.3542 3.88471 ] [ 2.61313 2.71504 -0.144964 ] [ 4.08224 4.0407 1.29994 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.11666e-12 -4.851160000000001e-12 -8.44937e-12 ] [ 1.40892e-10 1.32935e-10 1.34318e-10 ] [ 2.51238e-11 2.67562e-10 2.78628e-10 ] [ 1.4893e-10 4.10816e-10 4.17197e-10 ] [ 2.79244e-10 -5.58727e-12 2.81547e-10 ] [ 4.182470000000001e-10 1.3542e-10 3.88471e-10 ] [ 2.61313e-10 2.71504e-10 -1.44964e-11 ] [ 4.08224e-10 4.0407e-10 1.29994e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8673024 6.4353436 3.3978879 ] [ 0.4735907 -1.3258798 -0.4490849 ] [ -1.9614737 1.8191937 -1.6974938 ] [ 3.9170664 -5.8495785 -3.2633247 ] [ -0.324423 1.3559433 -2.8239906 ] [ 2.2095783 -2.1274504 2.4880783 ] [ -0.1207305 1.8612909 1.6455937 ] [ 0.6736943 -2.1688627 0.7023341 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.79827811164373e-09 1.031055706273491e-08 5.444016553479209e-09 ] [ 7.587759473683065e-10 -2.12429361755098e-09 -7.19513327534306e-10 ] [ -3.142627304454073e-09 2.914669614846649e-09 -2.719684880312951e-09 ] [ 6.275832208201221e-09 -9.372057914234334e-09 -5.228422540419174e-09 ] [ -5.197829458497984e-10 2.172460654390401e-09 -4.524531716678965e-09 ] [ 3.540134694087009e-09 -3.408551292791608e-09 3.986340882979809e-09 ] [ -1.934315845174944e-10 2.982116764487791e-09 2.636531753475769e-09 ] [ 1.079377257026221e-09 -3.474901111665164e-09 1.125263275010609e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.367663 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.506306617013319e-18 } }