{ "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" [ 5.33408 0 0 ] "si-unit" "m" "si-value" [ 5.33408e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.034982 5.4373 0 ] "si-unit" "m" "si-value" [ 3.4982e-12 5.437299999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.179208 0.185424 5.40079 ] "si-unit" "m" "si-value" [ 1.79208e-11 1.85424e-11 5.40079e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0492126 -0.0420999 -0.0477888 ] [ 1.41891 1.35069 1.31795 ] [ 0.0600152 2.70621 2.67075 ] [ 1.52388 3.98641 4.19062 ] [ 2.7955 -0.0317733 2.51171 ] [ 4.14719 1.34284 3.96242 ] [ 2.77343 2.76788 -0.181612 ] [ 4.04692 4.12597 1.21449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.92126e-12 -4.209990000000001e-12 -4.77888e-12 ] [ 1.41891e-10 1.35069e-10 1.31795e-10 ] [ 6.00152e-12 2.70621e-10 2.67075e-10 ] [ 1.52388e-10 3.98641e-10 4.19062e-10 ] [ 2.7955e-10 -3.17733e-12 2.51171e-10 ] [ 4.14719e-10 1.34284e-10 3.96242e-10 ] [ 2.77343e-10 2.76788e-10 -1.81612e-11 ] [ 4.04692e-10 4.12597e-10 1.21449e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1169166 1.7779846 -0.4831519 ] [ -0.2979839 0.5589788 -0.7737157 ] [ 0.9951688 2.3580567 -0.7962374 ] [ -2.3987398 1.3950365 -2.462175 ] [ -1.9117063 -0.0544034 2.6073101 ] [ -2.0057404 -1.4851253 -0.503383 ] [ 1.8038159 -1.8738232 1.0663127 ] [ 0.6982692 -2.6767047 1.3450403 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.993850905503425e-09 2.84864535826244e-09 -7.740946784750995e-10 ] [ -4.774228379548052e-10 8.955827648828391e-10 -1.239629205685907e-09 ] [ 1.594436185109591e-09 3.7780233152608e-09 -1.275712946886578e-09 ] [ -3.843204826942468e-09 2.23509486546266e-09 -3.944839221318239e-09 ] [ -3.062891139696072e-09 -8.716385557203071e-11 4.17737128539571e-09 ] [ -3.213550376274041e-09 -2.379433034618586e-09 -8.065084739081664e-10 ] [ 2.890031663207311e-09 -3.002195722552642e-09 1.708421278402124e-09 ] [ 1.118750587264719e-09 -4.288553691125478e-09 2.154992122693818e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -219.64185 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.519050370192605e-17 } }