{ "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 0.161524 0 ] [ 0.5 0.838476 0 ] [ 0 0.838476 0.5 ] [ 0 0.161524 0.5 ] [ 0 0.661524 0 ] [ 0 0.338476 0 ] [ 0.5 0.338476 0.5 ] [ 0.5 0.661524 0.5 ] [ 0.875423 0 0.872846 ] [ 0.375423 0 0.627154 ] [ 0.624577 0 0.372846 ] [ 0.124577 0 0.127154 ] [ 0.375423 0.5 0.872846 ] [ 0.875423 0.5 0.627154 ] [ 0.124577 0.5 0.372846 ] [ 0.624577 0.5 0.127154 ] [ 0.244192 0.25 0.75 ] [ 0.744192 0.25 0.75 ] [ 0.255808 0.25 0.25 ] [ 0.755808 0.25 0.25 ] [ 0.744192 0.75 0.75 ] [ 0.244192 0.75 0.75 ] [ 0.755808 0.75 0.25 ] [ 0.255808 0.75 0.25 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "Pr" "S" "S" "S" "S" "S" "S" "S" "S" "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" 5.91702559 "source-unit" "angstrom" } "b" { "source-value" 13.15325228 "source-unit" "angstrom" } "c" { "source-value" 5.90984271 "source-unit" "angstrom" } }