{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.494542 0.298507 0.25 ] [ 0.494542 0.201493 0.75 ] [ 0.505458 0.798507 0.25 ] [ 0.505458 0.701493 0.75 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.715908 0.055212 0.452459 ] [ 0.715908 0.444788 0.547541 ] [ 0.284092 0.555212 0.047541 ] [ 0.284092 0.944788 0.952459 ] [ 0.284092 0.944788 0.547541 ] [ 0.284092 0.555212 0.452459 ] [ 0.715908 0.444788 0.952459 ] [ 0.715908 0.055212 0.047541 ] [ 0.08634 0.25 0 ] [ 0.91366 0.75 0.5 ] [ 0.91366 0.75 0 ] [ 0.08634 0.25 0.5 ] [ 0.071616 0.985937 0.25 ] [ 0.071616 0.514063 0.75 ] [ 0.928384 0.485937 0.25 ] [ 0.928384 0.014063 0.75 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.34826966 "source-unit" "angstrom" } "b" { "source-value" 7.79589551 "source-unit" "angstrom" } "c" { "source-value" 7.82953043 "source-unit" "angstrom" } }