{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.272014 ] [ 0.5 0.5 0.727986 ] [ 0.5 0 0.750529 ] [ 0.5 0 0.249471 ] [ 0 0.259998 0 ] [ 0 0.740002 0 ] [ 0 0.746022 0.5 ] [ 0 0.253978 0.5 ] [ 0 0.30295 0.770472 ] [ 0 0.69705 0.229528 ] [ 0 0.30295 0.229528 ] [ 0 0.69705 0.770472 ] [ 0.5 0.277985 0.5 ] [ 0.5 0.722015 0.5 ] [ 0.5 0.315695 0 ] [ 0.5 0.684305 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Tb" "Tb" "Ba" "Ba" "Co" "Co" "Co" "Co" "O" "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" 3.92112667 "source-unit" "angstrom" } "b" { "source-value" 7.68919976 "source-unit" "angstrom" } "c" { "source-value" 7.8651073 "source-unit" "angstrom" } }