{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.325763 0.907098 ] [ 0.5 0.674237 0.092902 ] [ 0 0.325763 0.092902 ] [ 0 0.674237 0.907098 ] [ 0 0.825763 0.407098 ] [ 0 0.174237 0.592902 ] [ 0.5 0.825763 0.592902 ] [ 0.5 0.174237 0.407098 ] [ 0.5 0.842926 0.849966 ] [ 0 0.157074 0.849966 ] [ 0 0.842926 0.150034 ] [ 0.5 0.157074 0.150034 ] [ 0 0.342926 0.349966 ] [ 0.5 0.657074 0.349966 ] [ 0.5 0.342926 0.650034 ] [ 0 0.657074 0.650034 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "I" "I" "I" "I" "I" "I" "I" "I" "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" 6.91643901037 "source-unit" "angstrom" } "b" { "source-value" 7.72003343317 "source-unit" "angstrom" } "c" { "source-value" 14.1323798677 "source-unit" "angstrom" } }