{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47042e-10 0.0 0.0 ] "source-value" [ 5.47042 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] "source-value" [ 0.0146058 5.3888 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] "source-value" [ 0.134413 -0.103851 5.39218 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 8.266077796161025e-11 -7.701111867428045e-10 6.850168627118611e-10 ] [ 4.845241653911771e-10 4.811613568817798e-10 2.434454343259451e-09 ] [ 8.653676364264959e-12 4.340274035274509e-10 -2.50136508416795e-09 ] [ 1.68175160658995e-09 9.395213371846445e-10 -1.874939820478745e-09 ] [ -2.797288868423993e-09 1.350044649467297e-09 9.544334358650784e-10 ] [ -1.181855678045831e-09 8.5528193459856e-11 -4.56496008022226e-10 ] [ -7.196769097672897e-11 6.809643171672097e-10 8.59619827799376e-10 ] [ 1.793521850921889e-09 -3.201136070945434e-09 -1.007233967491853e-10 ] ] "source-value" [ [ 0.0515928 -0.4806656 0.4275539 ] [ 0.3024162 0.3003173 1.5194669 ] [ 0.0054012 0.2708986 -1.5612293 ] [ 1.0496668 0.5864031 -1.1702454 ] [ -1.7459304 0.8426316 0.5957105 ] [ -0.7376563 0.0533825 -0.2849224 ] [ -0.0449187 0.4250245 0.5365325 ] [ 1.1194283 -1.997992 -0.0628666 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.057008852657311e-16 "source-value" 659.73304 } }