{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.257037 0.742963 0.242963 ] [ 0.242963 0.257037 0.742963 ] [ 0.757037 0.757037 0.757037 ] [ 0.742963 0.242963 0.257037 ] [ 0.195776 0.695776 0.804224 ] [ 0.304224 0.304224 0.304224 ] [ 0.695776 0.804224 0.195776 ] [ 0.804224 0.195776 0.695776 ] [ 0.031104 0.031104 0.031104 ] [ 0.968896 0.531104 0.468896 ] [ 0.468896 0.968896 0.531104 ] [ 0.531104 0.468896 0.968896 ] [ 0.978931 0.619327 0.677812 ] [ 0.159041 0.159041 0.159041 ] [ 0.177812 0.521069 0.380673 ] [ 0.119327 0.822188 0.021069 ] [ 0.380673 0.177812 0.521069 ] [ 0.322188 0.478931 0.880673 ] [ 0.340959 0.840959 0.659041 ] [ 0.521069 0.380673 0.177812 ] [ 0.478931 0.880673 0.322188 ] [ 0.659041 0.340959 0.840959 ] [ 0.677812 0.978931 0.619327 ] [ 0.619327 0.677812 0.978931 ] [ 0.880673 0.322188 0.478931 ] [ 0.822188 0.021069 0.119327 ] [ 0.840959 0.659041 0.340959 ] [ 0.021069 0.119327 0.822188 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.289543 "source-unit" "angstrom" } }