{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0.247175 0 0 ] [ 0.752825 0.752825 0 ] [ 0 0.247175 0 ] [ 0 0.586456 0.5 ] [ 0.413544 0.413544 0.5 ] [ 0.586456 0 0.5 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Co" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.5424180786 "source-unit" "angstrom" } "c" { "source-value" 3.58078102 "source-unit" "angstrom" } }