{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8389641 -5.0223994 2.2560725 ] [ -1.139644 3.7819155 5.030089 ] [ 4.167516 0.9744771 -3.37971 ] [ -0.8410342 -2.1856881 -1.3233477 ] [ 1.218558 1.9187647 -1.0628205 ] [ -7.5301974 3.2579452 -5.2623058 ] [ 4.8529907 0.3482296 2.5587922 ] [ -2.5671531 -3.0732446 1.1832304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.946345287510513e-09 -8.04677089899995e-09 3.614626614329809e-09 ] [ -1.825910972834995e-09 6.059296595941142e-09 8.059090996343252e-09 ] [ 6.677096702009933e-09 1.561284427124984e-09 -5.414892347083969e-09 ] [ -1.347485332533231e-09 -3.501858374180773e-09 -2.120236746129452e-09 ] [ 1.952345138688806e-09 3.074199943156326e-09 -1.702826157206966e-09 ] [ -1.206470622428895e-08 5.219803631287581e-09 -8.431143324260242e-09 ] [ 7.775348240499827e-09 5.579253237905357e-10 4.099637040325398e-09 ] [ -4.113032678834245e-09 -4.923880648119848e-09 1.895744083899833e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.229539 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.804612036816182e-18 } }