{ "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" [ [ -1.0665378 -2.6196394 1.3872452 ] [ 1.9759257 1.7203885 3.818686 ] [ -1.0414574 -0.0818002 -4.5676846 ] [ 2.7239721 1.9002161 -1.6715086 ] [ -7.2685256 2.9499117 3.8175616 ] [ -0.7317512 1.2537541 -1.4112221 ] [ 0.1122915 -0.0401426 1.4160599 ] [ 5.2960828 -5.0826882 -2.7891374 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.708781928359466e-09 -4.19712500160654e-09 2.22261182675702e-09 ] [ 3.165781960977875e-09 2.756366233393181e-09 6.118209431376269e-09 ] [ -1.668598697839154e-09 -1.310583680167642e-10 -7.318237477308199e-09 ] [ 4.36428441433148e-09 3.044481809887755e-09 -2.678052000386139e-09 ] [ -1.164546178400629e-08 4.726279559164384e-09 6.116407943983841e-09 ] [ -1.172394664882345e-09 2.008735507252146e-09 -2.26102705537628e-09 ] [ 1.799108160145632e-10 -6.431553521812608e-11 2.268778065432386e-09 ] [ 8.485260043981001e-09 -8.143364204856034e-09 -4.468690734478898e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.95701 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.60073041550718e-18 } }