{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.151085 0.848915 0.7656 ] [ 0.151085 0.302169 0.7656 ] [ 0.302169 0.151085 0.2656 ] [ 0.697831 0.848915 0.7656 ] [ 0.848915 0.697831 0.2656 ] [ 0.848915 0.151085 0.2656 ] [ 0.333333 0.666667 0.235792 ] [ 0.666667 0.333333 0.735792 ] [ 0.209314 0.790686 0.335751 ] [ 0 0 0.524267 ] [ 0 0 0.024267 ] [ 0.209314 0.418629 0.335751 ] [ 0.333333 0.666667 0.934547 ] [ 0.581371 0.790686 0.335751 ] [ 0.418629 0.209314 0.835751 ] [ 0.666667 0.333333 0.434547 ] [ 0.790686 0.581371 0.835751 ] [ 0.790686 0.209314 0.835751 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "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" 7.24725818402 "source-unit" "angstrom" } "c" { "source-value" 5.55459322 "source-unit" "angstrom" } }