{ "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" [ 5.41394 0 0 ] "si-unit" "m" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0321649 5.43167 0 ] "si-unit" "m" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.034689 -0.0250046 5.52467 ] "si-unit" "m" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0104706 0.0216981 0.0176006 ] [ 1.39448 1.38403 1.49781 ] [ 0.0179868 2.6904 2.7801 ] [ 1.33759 4.02716 4.17727 ] [ 2.6683 -0.0231463 2.83015 ] [ 4.02805 1.42643 4.22871 ] [ 2.71964 2.8128 -0.0574889 ] [ 4.09713 4.0529 1.34951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.04706e-12 2.16981e-12 1.76006e-12 ] [ 1.39448e-10 1.38403e-10 1.49781e-10 ] [ 1.79868e-12 2.6904e-10 2.7801e-10 ] [ 1.33759e-10 4.02716e-10 4.17727e-10 ] [ 2.6683e-10 -2.31463e-12 2.83015e-10 ] [ 4.02805e-10 1.42643e-10 4.228710000000001e-10 ] [ 2.71964e-10 2.8128e-10 -5.74889e-12 ] [ 4.09713e-10 4.052900000000001e-10 1.34951e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.50699 0.2596325 0.6183637 ] [ -0.2644537 -0.3770339 -1.764062 ] [ -0.6874646 0.426832 0.4425268 ] [ -0.662518 1.4076677 -0.8436801 ] [ 0.8889061 0.0397954 0.0114348 ] [ 0.3570846 -1.184793 -1.3747973 ] [ 0.1092845 -1.3013764 2.1388214 ] [ -0.247829 0.7292758 0.7713927 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.122875249793921e-10 4.15977121499856e-10 9.907278632913849e-10 ] [ -4.23701535424057e-10 -6.040748998290451e-10 -2.82633889404169e-09 ] [ -1.101439709747624e-09 6.838602514093056e-10 7.090060930374374e-10 ] [ -1.061470850459174e-09 2.255332278795308e-09 -1.351724531654206e-09 ] [ 1.424184571506507e-09 6.375925949538432e-11 1.832056922352384e-11 ] [ 5.721125977677196e-10 -1.898247645087495e-09 -2.202668092398964e-09 ] [ 1.750930709158176e-10 -2.085034842940869e-09 3.426769643146725e-09 ] [ -3.970658297562432e-10 1.168428636875217e-09 1.235907349395788e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -37.468188 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.003065483733911e-18 } }