{ "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" [ 5.45404 0 0 ] "si-unit" "m" "si-value" [ 5.45404e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00269758 5.32364 0 ] "si-unit" "m" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0264471 0.0433477 5.27221 ] "si-unit" "m" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3620653 4.1993196 4.0139335 ] [ -1.9092952 1.5950354 -1.0139787 ] [ 0.4484406 -0.9130715 -1.593461 ] [ 4.7994059 -2.8354798 -3.7082539 ] [ -0.6202962 1.0597269 2.0396556 ] [ 2.1651462 -3.7075322 -2.2745586 ] [ -2.21319 2.5493261 4.9854172 ] [ 0.691854 -1.9473245 -2.448754 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.386622421262937e-09 6.728051686387208e-09 6.431030411145918e-09 ] [ -3.05902813164566e-09 2.555528427228376e-09 -1.624572967129177e-09 ] [ 7.184810451375246e-10 -1.462901810418787e-09 -2.553005960356589e-09 ] [ 7.689495926709582e-09 -4.542939444310659e-09 -5.941277702570421e-09 ] [ -9.938240696110809e-10 1.69786966361286e-09 3.267888516803797e-09 ] [ 3.468946622253961e-09 -5.94012141170319e-09 -3.644244611559579e-09 ] [ -3.545921275388352e-09 4.084470676215243e-09 7.987518882774198e-09 ] [ 1.108472303806963e-09 -3.119957787011049e-09 -3.923336408890484e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.280005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.652479919270711e-18 } }