{ "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" [ [ -8.9819075 10.1635807 5.8635174 ] [ 0.2472674 -1.2121089 -0.7682176 ] [ -1.4412001 1.1976642 -1.2559159 ] [ 7.1818609 -8.5241221 -6.4112103 ] [ -0.1817173 1.3692383 -2.6550678 ] [ 3.0942603 -3.0598885 3.418094 ] [ -0.2302948 1.7073019 1.4896046 ] [ 0.311731 -1.6416656 0.3191956 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.439060220668818e-08 1.62838513811541e-08 9.394390493934002e-09 ] [ 3.961660473660019e-10 -1.942012541443605e-09 -1.230820278407086e-09 ] [ -2.309057106114623e-09 1.918869580809135e-09 -2.012199092670991e-09 ] [ 1.150660962781765e-08 -1.36571491414646e-08 -1.027189125369215e-08 ] [ -2.911432096548998e-10 2.193761592563936e-09 -4.25388755579889e-09 ] [ 4.957551511329594e-09 -4.902481816954781e-09 5.476390294496756e-09 ] [ -3.689729444518119e-10 2.73539918882742e-09 2.386609664356136e-09 ] [ 4.994481201786048e-10 -2.630238243491605e-09 5.114077277822286e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -34.005552 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.448290039179868e-18 } }