{ "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" [ [ 0.4461802 0.2445063 0.4032109 ] [ -0.0077618 -0.093431 -1.4967575 ] [ -0.5333189 0.3183622 0.308021 ] [ -0.4726846 0.9052612 -0.5231575 ] [ 0.7366314 -0.061613 0.0365951 ] [ 0.216451 -0.7951026 -0.9456855 ] [ -0.1911787 -1.0002586 1.5604013 ] [ -0.1943187 0.4822754 0.6573722 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.148594851038682e-10 3.917422774983111e-10 6.460150772317267e-10 ] [ -1.243577449532544e-11 -1.496929638579648e-10 -2.398069873507056e-09 ] [ -8.544710730107732e-10 5.100724737864538e-10 4.935040449154368e-10 ] [ -7.573242151321997e-10 1.450388330357353e-09 -8.381907154961762e-10 ] [ 1.180213607227173e-09 -9.87149081373504e-11 5.863181365583807e-11 ] [ 3.467927317487809e-10 -1.273894796857294e-09 -1.515155198729558e-09 ] [ -3.06302043534937e-10 -1.602590943674139e-09 2.500038481925927e-09 ] [ -3.11332878124249e-10 7.726903706669683e-10 1.053226370003862e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.089739 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.180036986857398e-18 } }