{ "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" [ 5.42802 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ 1.034419 1.897158 -1.050285 ] [ 0.215153 -0.869103 -0.768834 ] [ -0.620516 1.87831 0.179777 ] [ -0.270993 -1.14885 0.287275 ] [ -0.497897 0.272454 -0.017802 ] [ 1.021059 -1.040733 0.342179 ] [ -1.802984 0.140544 -0.925514 ] [ 0.921759 -1.12978 1.953203 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -35.65677 } }