{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.429246 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.070754 ] [ 0.666667 0.333333 0.929246 ] [ 0.666667 0.333333 0.570754 ] [ 0 0.334869 0 ] [ 0 0.334869 0.5 ] [ 0.333333 0.666667 0.25 ] [ 0.334869 0 0 ] [ 0.334869 0 0.5 ] [ 0.666667 0.333333 0.75 ] [ 0.665131 0.665131 0 ] [ 0.665131 0.665131 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Be" "Be" "Be" "Be" "Be" "Be" "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" 4.57655371 "source-unit" "angstrom" } "c" { "source-value" 8.78688632 "source-unit" "angstrom" } }