{ "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" [ 5.47042 0 0 ] "si-unit" "m" "si-value" [ 5.47042e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0146058 5.3888 0 ] "si-unit" "m" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.134413 -0.103851 5.39218 ] "si-unit" "m" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0813222 0.0658783 -0.0148119 ] [ 1.29496 1.3028 1.25678 ] [ 0.00731236 2.63688 2.91411 ] [ 1.38293 3.97853 4.11798 ] [ 2.91023 -0.000259257 2.64672 ] [ 4.15592 1.24599 4.16086 ] [ 2.63613 2.74458 -0.00927687 ] [ 4.0418 4.10114 1.35651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.13222e-12 6.58783e-12 -1.48119e-12 ] [ 1.29496e-10 1.3028e-10 1.25678e-10 ] [ 7.31236e-13 2.63688e-10 2.91411e-10 ] [ 1.38293e-10 3.97853e-10 4.11798e-10 ] [ 2.91023e-10 -2.59257e-14 2.64672e-10 ] [ 4.15592e-10 1.24599e-10 4.16086e-10 ] [ 2.63613e-10 2.74458e-10 -9.27687e-13 ] [ 4.0418e-10 4.10114e-10 1.35651e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.379446 0.7491823 -0.4424197 ] [ -1.1733339 -0.2809156 -1.862139 ] [ 0.570084 -0.3597566 2.3329726 ] [ -1.3471197 -0.4656174 0.4414172 ] [ 3.0551031 -1.3274414 -1.1378909 ] [ 0.5030371 -0.4740923 0.415534 ] [ 0.0545921 -0.0880114 -0.2584082 ] [ -2.0418088 2.2466523 0.5109341 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.07939515064764e-10 1.200322375666378e-09 -7.088345057612897e-10 ] [ -1.879888158460093e-09 -4.500764104460903e-10 -2.983475595060126e-09 ] [ 9.133752642172559e-10 -5.763936184472843e-10 3.737834187482228e-09 ] [ -2.15832370654109e-09 -7.460013186638315e-10 7.072283236857048e-10 ] [ 4.894814801280966e-09 -2.126795594084247e-09 -1.82310221202123e-09 ] [ 8.059542876551213e-10 -7.595796054193182e-10 6.657588654325559e-10 ] [ 8.746618702099139e-11 -1.410098086056276e-10 -4.140155800739987e-10 ] [ -3.271338350455579e-09 3.599533819782358e-09 8.186066765338192e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.22864360156248154 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.663274359370138e-20 } }