{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0.737043 0.25 ] [ 0.5 0.262957 0.75 ] [ 0.5 0.279833 0.25 ] [ 0.5 0.720167 0.75 ] [ 0.5 0.681648 0.494184 ] [ 0.5 0.318352 0.505816 ] [ 0.5 0.681648 0.005816 ] [ 0.5 0.318352 0.994184 ] [ 0 0.683269 0.75 ] [ 0 0.316731 0.25 ] [ 0 0.683236 0.25 ] [ 0 0.316764 0.75 ] [ 0.5 0.985061 0.25 ] [ 0.5 0.014939 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Dy" "Dy" "Fe" "Fe" "Fe" "Fe" "O" "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" 3.97875596 "source-unit" "angstrom" } "b" { "source-value" 7.73396613 "source-unit" "angstrom" } "c" { "source-value" 7.93220879 "source-unit" "angstrom" } }