{ "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" [ [ -0.3539337 -1.2714209 0.6941489 ] [ 0.9671407 0.8339103 2.0736699 ] [ -0.2819622 -0.0046969 -2.2472803 ] [ 1.3549579 0.7997761 -0.9392331 ] [ -3.1163473 1.4621846 1.5648811 ] [ -0.7972219 0.5507948 -0.6842508 ] [ 0.0992269 0.1420324 0.6909265 ] [ 2.1281397 -2.5125804 -1.1528623 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.67064299453241e-10 -2.037040841176495e-09 1.112149138934037e-09 ] [ 1.549530218564147e-09 1.336071586504314e-09 3.322385433036674e-09 ] [ -4.517532447893338e-10 -7.525263370235521e-12 -3.60053995704441e-09 ] [ 2.170881869548264e-09 1.281382569294603e-09 -1.504817314301509e-09 ] [ -4.992938786353205e-09 2.3426779814138e-09 2.507215912751787e-09 ] [ -1.277290289769756e-09 8.824705514182118e-10 -1.096290634523697e-09 ] [ 1.589790193344595e-10 2.275609906761139e-10 1.106986284991171e-09 ] [ 3.409655673136326e-09 -4.025597574760312e-09 -1.847089024061716e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.966239 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.762426726390518e-18 } }