{ "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" [ [ 0.3160844 0.1951971 0.435834 ] [ -0.1134157 -0.2742622 -1.2906261 ] [ -0.5407695 0.3164579 0.2085453 ] [ -0.4803452 1.0859183 -0.5965927 ] [ 0.6272451 0.0421516 -0.1036171 ] [ 0.3183384 -0.901092 -0.9424456 ] [ 0.008676 -1.0146908 1.6503891 ] [ -0.1358135 0.55032 0.6385132 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.064230400519095e-10 3.127402326445614e-10 6.98283051102756e-10 ] [ -1.817119844687538e-10 -4.394164884294348e-10 -2.067810980650547e-09 ] [ -8.664082572798629e-10 5.070214530247086e-10 3.341264067905201e-10 ] [ -7.695978556940567e-10 1.739832926693002e-09 -9.558468839549717e-10 ] [ 1.004957443010993e-09 6.75343086057144e-11 -1.660128965028414e-10 ] [ 5.100343461849456e-10 -1.443708547484328e-09 -1.50996431913611e-09 ] [ 1.3900484476584e-11 -1.625713890494767e-09 2.644214853028289e-09 ] [ -2.17597216281759e-10 8.8170984522288e-10 1.023010929540569e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.702166 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.880335278238923e-18 } }