{ "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" [ [ 0.333333 0.666667 0.304968 ] [ 0 0 0 ] [ 0.666667 0.333333 0.695032 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.834447 ] [ 0.666667 0.333333 0.165553 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.822131 0.644262 0.299329 ] [ 0.822131 0.177869 0.299329 ] [ 0.355738 0.177869 0.299329 ] [ 0.177869 0.355738 0.700671 ] [ 0.177869 0.822131 0.700671 ] [ 0.644262 0.822131 0.700671 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Sr" "Ta" "Ta" "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" 6.0218922 "source-unit" "angstrom" } "c" { "source-value" 7.67679453 "source-unit" "angstrom" } }