{ "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" [ [ 1.4753958 0.6262192 0.7288485 ] [ 0.4375148 -0.0859491 -4.519092 ] [ -1.9259681 1.2451203 1.3569424 ] [ -2.2089745 2.9309937 -2.1130714 ] [ 2.2199635 -0.7675294 0.7530675 ] [ 0.8811206 -2.0507738 -2.8604566 ] [ -0.4203127 -2.8448627 4.8426789 ] [ -0.4587394 0.9467819 1.8110827 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.363844657186513e-09 1.003313761736079e-09 1.167744026805149e-09 ] [ 7.009759838139878e-10 -1.377056385988013e-10 -7.240383549644314e-09 ] [ -3.085741062226596e-09 1.994902634743482e-09 2.174061389052242e-09 ] [ -3.53916729984337e-09 4.695969581852089e-09 -3.385513595161125e-09 ] [ 3.556773618729341e-09 -1.229717660456652e-09 1.206547142384304e-09 ] [ 1.411710825425269e-09 -3.285701836909175e-09 -4.582956689333058e-09 ] [ -6.734151813653241e-10 -4.557972507325964e-09 7.758826915621461e-09 ] [ -7.349815417198196e-10 1.516911825176604e-09 2.90167436027534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.146862 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.791365721168393e-18 } }