{ "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" [ [ 0.7113539 0.8450379 0.4354718 ] [ 0.9006519 -0.1523612 -1.7620871 ] [ -1.1331836 0.0467411 -0.2917299 ] [ -1.1260064 1.1297506 -0.478541 ] [ 1.3205916 -0.5602124 -0.0134932 ] [ 0.2964732 -0.9238398 -0.6852267 ] [ -0.9786818 -0.9799296 1.692606 ] [ 0.0088012 0.5948133 1.1030001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.139714587694901e-09 1.353899967069928e-09 6.977027369776936e-10 ] [ 1.4430034176591e-09 -2.44109552557033e-10 -2.823174755433272e-09 ] [ -1.815560270993979e-09 7.488749765047487e-11 -4.674028253683219e-10 ] [ -1.804061128951173e-09 1.810059998654773e-09 -7.667072022942528e-10 ] [ 2.115820987144865e-09 -8.975592099622581e-10 -2.161848957977856e-11 ] [ 4.750024297337626e-10 -1.480154528924548e-09 -1.097854198687935e-09 ] [ -1.568021099162462e-09 -1.570020295149896e-09 2.711853761425805e-09 ] [ 1.410107687498496e-11 9.529959630008966e-10 1.767200972960062e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -217.78528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.489304839703818e-17 } }