{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccme" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.86133 0.016604 ] [ 0.5 0.13867 0.983396 ] [ 0 0.13867 0.516604 ] [ 0 0.86133 0.483396 ] [ 0 0.36133 0.016604 ] [ 0 0.63867 0.983396 ] [ 0.5 0.63867 0.516604 ] [ 0.5 0.36133 0.483396 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.185965 0.931468 ] [ 0 0.814035 0.068532 ] [ 0.5 0.814035 0.431468 ] [ 0.5 0.185965 0.568532 ] [ 0.25 0.015108 0.25 ] [ 0.25 0.984892 0.75 ] [ 0.75 0.015108 0.25 ] [ 0.75 0.984892 0.75 ] [ 0.5 0.685965 0.931468 ] [ 0.5 0.314035 0.068532 ] [ 0 0.314035 0.431468 ] [ 0 0.685965 0.568532 ] [ 0.75 0.515108 0.25 ] [ 0.75 0.484892 0.75 ] [ 0.25 0.515108 0.25 ] [ 0.25 0.484892 0.75 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "O" "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" 5.28090518571 "source-unit" "angstrom" } "b" { "source-value" 12.9499848966 "source-unit" "angstrom" } "c" { "source-value" 5.58346518 "source-unit" "angstrom" } }