{ "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" [ [ -5.3093606 -10.6615196 3.3996011 ] [ 6.5289069 4.9865958 11.277075 ] [ -3.8381412 -1.9345523 -12.8963846 ] [ 8.6233561 7.8414554 -2.1990291 ] [ -27.4401231 22.1453894 23.6309751 ] [ -5.9306887 2.2975085 -3.3194038 ] [ 3.0830166 0.494548 3.587195 ] [ 24.2830338 -25.1694252 -23.4800287 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.50653349480022e-09 -1.708163758605302e-08 5.446761447340696e-09 ] [ 1.046046208074137e-08 7.989407273962537e-09 1.806786606486555e-08 ] [ -6.14938014863272e-09 -3.099494492310958e-09 -2.066228606919743e-08 ] [ 1.381613965008137e-08 1.256339661843312e-08 -3.523233041506049e-09 ] [ -4.396392406490365e-08 3.548082544751127e-08 3.786099614385581e-08 ] [ -9.502010858667834e-09 3.681014435116389e-09 -5.318271207170809e-09 ] [ 4.939537158754124e-09 7.923532499914319e-10 5.747320010601629e-09 ] [ 3.890570935699222e-08 -4.032586494665077e-08 -3.761915334878939e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -29.907541 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.791716337059699e-18 } }