{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.984337 0.053889 0.25 ] [ 0.484337 0.446111 0.75 ] [ 0.515663 0.553889 0.25 ] [ 0.015663 0.946111 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.691948 0.305827 0.435253 ] [ 0.191948 0.194173 0.564747 ] [ 0.808052 0.805827 0.064747 ] [ 0.308052 0.694173 0.935253 ] [ 0.308052 0.694173 0.564747 ] [ 0.808052 0.805827 0.435253 ] [ 0.191948 0.194173 0.935253 ] [ 0.691948 0.305827 0.064747 ] [ 0.123079 0.445888 0.25 ] [ 0.623079 0.054112 0.75 ] [ 0.376921 0.945888 0.25 ] [ 0.876921 0.554112 0.75 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Lu" "Lu" "Lu" "Lu" "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" 5.77056193 "source-unit" "angstrom" } "b" { "source-value" 6.0103299 "source-unit" "angstrom" } "c" { "source-value" 8.35974854 "source-unit" "angstrom" } }