{ "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" [ [ 0.7600381 1.0295927 0.5955802 ] [ 0.9754818 -0.3944222 -1.9943187 ] [ -1.3678486 0.030024 -0.4787715 ] [ -1.3592649 1.5680933 -0.6225488 ] [ 1.529699 -0.523754 -0.2139932 ] [ 0.4263911 -1.3169128 -0.8356509 ] [ -1.0045563 -1.2516319 2.1745619 ] [ 0.0400598 0.8590111 1.375141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.217715284769755e-09 1.649589366476972e-09 9.542246801130466e-10 ] [ 1.562894146852261e-09 -6.319340327708748e-10 -3.195250821889255e-09 ] [ -2.191535065769612e-09 4.810375125921599e-11 -7.67076510325131e-10 ] [ -2.177782462196347e-09 2.512362445191952e-09 -9.974331408847392e-10 ] [ 2.450847994853165e-09 -8.391464207640359e-10 -3.428549048748888e-10 ] [ 6.831538573655573e-10 -2.109926917175515e-09 -1.33886034616107e-09 ] [ -1.609476631397494e-09 -2.005335384549024e-09 3.484032265366645e-09 ] [ 6.418287552271319e-11 1.376287512766637e-09 2.203218778655394e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -327.13055 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.241209234775687e-17 } }