{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_132" } "basis-atom-coordinates" { "source-value" [ [ 0.566707 0.433293 0.933293 ] [ 0.683293 0.683293 0.683293 ] [ 0.933293 0.566707 0.433293 ] [ 0.433293 0.933293 0.566707 ] [ 0.183293 0.816707 0.316707 ] [ 0.816707 0.316707 0.183293 ] [ 0.316707 0.183293 0.816707 ] [ 0.066707 0.066707 0.066707 ] [ 0.625 0.298213 0.548213 ] [ 0.701787 0.048213 0.875 ] [ 0.548213 0.625 0.298213 ] [ 0.951787 0.375 0.798213 ] [ 0.298213 0.548213 0.625 ] [ 0.451787 0.125 0.201787 ] [ 0.048213 0.875 0.701787 ] [ 0.798213 0.951787 0.375 ] [ 0.201787 0.451787 0.125 ] [ 0.875 0.701787 0.048213 ] [ 0.375 0.798213 0.951787 ] [ 0.125 0.201787 0.451787 ] [ 0.875 0.125 0.625 ] [ 0.125 0.625 0.875 ] [ 0.625 0.875 0.125 ] [ 0.375 0.375 0.375 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.88994728 "source-unit" "angstrom" } }