{ "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" [ [ 0.666667 0.333333 0.749792 ] [ 0.333333 0.666667 0.249792 ] [ 0 0 0.488421 ] [ 0 0 0.988421 ] [ 0.853651 0.146349 0.238096 ] [ 0.707302 0.853651 0.738096 ] [ 0.146349 0.292698 0.738096 ] [ 0.853651 0.707302 0.238096 ] [ 0.146349 0.853651 0.738096 ] [ 0.292698 0.146349 0.238096 ] ] } "species" { "source-value" [ "Ba" "Ba" "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" 5.72260254699 "source-unit" "angstrom" } "c" { "source-value" 4.82718438 "source-unit" "angstrom" } }