{ "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 0.334656 ] [ 0.333333 0.666667 0.665344 ] [ 0 0 0 ] [ 0.333333 0.666667 0.178042 ] [ 0.666667 0.333333 0.821958 ] [ 0 0 0.5 ] [ 0.342816 0.171408 0.674351 ] [ 0.828592 0.171408 0.674351 ] [ 0.828592 0.657184 0.674351 ] [ 0.171408 0.828592 0.325649 ] [ 0.657184 0.828592 0.325649 ] [ 0.171408 0.342816 0.325649 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Nb" "Nb" "Co" "O" "O" "O" "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" 5.85528922889 "source-unit" "angstrom" } "c" { "source-value" 7.20468449 "source-unit" "angstrom" } }