{ "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" [ [ 0.333333 0.666667 0.734475 ] [ 0.666667 0.333333 0.234475 ] [ 0 0 0.014523 ] [ 0 0 0.514523 ] [ 0.159214 0.840786 0.266156 ] [ 0.681573 0.840786 0.266156 ] [ 0.840786 0.681573 0.766156 ] [ 0.159214 0.318427 0.266156 ] [ 0.318427 0.159214 0.766156 ] [ 0.840786 0.159214 0.766156 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ni" "Ni" "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" 5.19501627 "source-unit" "angstrom" } "c" { "source-value" 4.78897228 "source-unit" "angstrom" } }