{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.535894 0.071789 0.107466 ] [ 0.464106 0.535894 0.607466 ] [ 0.071789 0.535894 0.607466 ] [ 0.928211 0.464106 0.107466 ] [ 0.535894 0.464106 0.107466 ] [ 0.464106 0.928211 0.892534 ] [ 0.464106 0.535894 0.892534 ] [ 0.464106 0.928211 0.607466 ] [ 0.071789 0.535894 0.892534 ] [ 0.928211 0.464106 0.392534 ] [ 0.535894 0.071789 0.392534 ] [ 0.535894 0.464106 0.392534 ] [ 0.202585 0.405169 0.25 ] [ 0.797415 0.202585 0.75 ] [ 0.405169 0.202585 0.75 ] [ 0.594831 0.797415 0.25 ] [ 0.202585 0.797415 0.25 ] [ 0.797415 0.594831 0.75 ] [ 0.826204 0.652408 0.25 ] [ 0.173796 0.826204 0.75 ] [ 0.652408 0.826204 0.75 ] [ 0.347592 0.173796 0.25 ] [ 0.826204 0.173796 0.25 ] [ 0.173796 0.347592 0.75 ] [ 0.333333 0.666667 0.061656 ] [ 0.666667 0.333333 0.561656 ] [ 0.666667 0.333333 0.938344 ] [ 0.333333 0.666667 0.438344 ] ] } "species" { "source-value" [ "Sr" "Sr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 6.50898583701 "source-unit" "angstrom" } "c" { "source-value" 10.7686947 "source-unit" "angstrom" } }