{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.413940000000001e-10 0.0 0.0 ] "source-value" [ 5.41394 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.216490000000001e-12 5.431670000000001e-10 0.0 ] "source-value" [ 0.0321649 5.43167 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.4689e-12 -2.50046e-12 5.52467e-10 ] "source-value" [ -0.034689 -0.0250046 5.52467 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.078154956482213e-09 6.322432476523161e-10 1.02085150746268e-09 ] [ 3.76944093575616e-11 -2.379522275856364e-10 -3.545021813433435e-09 ] [ -1.282834621966034e-09 6.959408233477997e-10 6.879119958656466e-10 ] [ -1.164409897257264e-09 2.177754245945524e-09 -1.268637414493801e-09 ] [ 1.791844852652897e-09 -1.803256195416883e-10 9.997485983194752e-11 ] [ 4.929881440435392e-10 -1.895388560907677e-09 -2.247011534732845e-09 ] [ -4.982274218112172e-10 -2.387231148667344e-09 3.721416172200667e-09 ] [ -4.55210421501696e-10 1.194959079539044e-09 1.53051622729914e-09 ] ] "source-value" [ [ 0.6729314 0.3946152 0.6371654 ] [ 0.023527 -0.1485181 -2.2126286 ] [ -0.8006824 0.4343721 0.4293609 ] [ -0.7267675 1.3592473 -0.7918212 ] [ 1.1183816 -0.1125504 0.0623994 ] [ 0.307699 -1.1830085 -1.4024743 ] [ -0.3109691 -1.4899925 2.3227253 ] [ -0.28412 0.7458348 0.9552731 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.858120410074026e-18 "source-value" -36.563512 } }