{ "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" [ [ 0.5576423 0.2959225 0.6370375 ] [ -0.1284975 -0.2444914 -1.9962065 ] [ -0.7147455 0.4367386 0.4562037 ] [ -0.6860125 1.4060621 -0.8505979 ] [ 0.9625645 -5.42e-05 0.0244838 ] [ 0.3440633 -1.2050795 -1.4013891 ] [ -0.0720872 -1.4352723 2.2921488 ] [ -0.2629275 0.7461742 0.8383197 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.934414631900182e-10 4.741201149748649e-10 1.020646597481775e-09 ] [ -2.058756920274149e-10 -3.917184082939476e-10 -3.198275410938921e-09 ] [ -1.145148539356647e-09 6.997323800858723e-10 7.309189084843458e-10 ] [ -1.099113198131925e-09 2.252759842572971e-09 -1.362808080309468e-09 ] [ 1.542198350617893e-09 -8.68379735628e-14 3.922737227152919e-11 ] [ 5.512501798769322e-10 -1.930750217012403e-09 -2.245272871162289e-09 ] [ -1.154964274504848e-10 -2.299559742487438e-09 3.672427249011139e-09 ] [ -4.212562969360349e-10 1.195502868133643e-09 1.34313623516189e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.526901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.852254729463124e-18 } }