{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.796369 ] [ 0 0.5 0.203631 ] [ 0.5 0 0.296369 ] [ 0.5 0 0.703631 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.740946 0.847709 ] [ 0.5 0.259054 0.152291 ] [ 0.5 0.740946 0.152291 ] [ 0.5 0.259054 0.847709 ] [ 0 0.5 0 ] [ 0 0.240946 0.347709 ] [ 0 0.759054 0.652291 ] [ 0 0.240946 0.652291 ] [ 0 0.759054 0.347709 ] [ 0.5 0 0.5 ] ] } "species" { "source-value" [ "Ba" "Ba" "Er" "Er" "Er" "Er" "Co" "Co" "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" 3.76780725607 "source-unit" "angstrom" } "b" { "source-value" 5.79234180209 "source-unit" "angstrom" } "c" { "source-value" 11.4842799766 "source-unit" "angstrom" } }