{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.266096 ] [ 0.333333 0.666667 0.733904 ] [ 0 0 0 ] [ 0.828678 0.657356 0.775899 ] [ 0.828678 0.171322 0.775899 ] [ 0.342644 0.171322 0.775899 ] [ 0.171322 0.342644 0.224101 ] [ 0.171322 0.828678 0.224101 ] [ 0.657356 0.828678 0.224101 ] ] } "species" { "source-value" [ "Ba" "Ba" "Mg" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.73581790532 "source-unit" "angstrom" } "c" { "source-value" 4.54289373037 "source-unit" "angstrom" } }