{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.127815 0.25 ] [ 0 0.872185 0.75 ] [ 0.5 0.627815 0.25 ] [ 0.5 0.372185 0.75 ] [ 0.5 0.93146 0.25 ] [ 0.5 0.06854 0.75 ] [ 0 0.43146 0.25 ] [ 0 0.56854 0.75 ] [ 0 0.246976 0.75 ] [ 0 0.753024 0.25 ] [ 0.5 0.746976 0.75 ] [ 0.5 0.253024 0.25 ] [ 0.716948 0 0.5 ] [ 0.283052 0 0 ] [ 0.716948 0 0 ] [ 0.283052 0 0.5 ] [ 0.216948 0.5 0.5 ] [ 0.783052 0.5 0 ] [ 0.216948 0.5 0 ] [ 0.783052 0.5 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "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" 5.95254389457 "source-unit" "angstrom" } "b" { "source-value" 13.1167373733 "source-unit" "angstrom" } "c" { "source-value" 5.59924507 "source-unit" "angstrom" } }