{ "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" [ [ 0.736831 0.197359 0.5 ] [ 0.802641 0.539473 0.5 ] [ 0.460527 0.263169 0.5 ] [ 0.263169 0.460527 0.5 ] [ 0.539473 0.802641 0.5 ] [ 0.197359 0.736831 0.5 ] [ 0 0.45426 0 ] [ 0.54574 0.54574 0 ] [ 0.45426 0 0 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0 0.704352 0 ] [ 0.295648 0.295648 0 ] [ 0.704352 0 0 ] [ 0 0.271489 0.5 ] [ 0.728511 0.728511 0.5 ] [ 0.271489 0 0.5 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ni" "Ni" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.1999352802 "source-unit" "angstrom" } "c" { "source-value" 3.39652546 "source-unit" "angstrom" } }