{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.276879 0.529706 ] [ 0.75 0.223121 0.029706 ] [ 0.75 0.723121 0.470294 ] [ 0.25 0.344952 0.799707 ] [ 0.75 0.155048 0.299707 ] [ 0.25 0.844952 0.700293 ] [ 0.25 0.776879 0.970294 ] [ 0.75 0.655048 0.200293 ] [ 0.75 0.013506 0.828802 ] [ 0.75 0.513506 0.671198 ] [ 0.25 0.486494 0.328802 ] [ 0.25 0.986494 0.171198 ] [ 0.059265 0.155373 0.673258 ] [ 0.559265 0.844627 0.326742 ] [ 0.559265 0.344627 0.173258 ] [ 0.75 0.479757 0.344829 ] [ 0.75 0.979757 0.155171 ] [ 0.25 0.520243 0.655171 ] [ 0.75 0.425239 0.541094 ] [ 0.059265 0.655373 0.826742 ] [ 0.25 0.574761 0.458906 ] [ 0.25 0.020243 0.844829 ] [ 0.75 0.28717 0.857582 ] [ 0.75 0.925239 0.958906 ] [ 0.440735 0.655373 0.826742 ] [ 0.25 0.21283 0.357582 ] [ 0.75 0.78717 0.642418 ] [ 0.25 0.71283 0.142418 ] [ 0.440735 0.155373 0.673258 ] [ 0.940735 0.344627 0.173258 ] [ 0.25 0.074761 0.041094 ] [ 0.940735 0.844627 0.326742 ] [ 0.25 0.903659 0.527943 ] [ 0.25 0.403659 0.972057 ] [ 0.75 0.096341 0.472057 ] [ 0.75 0.596341 0.027943 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.48691099 "source-unit" "angstrom" } "b" { "source-value" 8.85921453 "source-unit" "angstrom" } "c" { "source-value" 17.73000829 "source-unit" "angstrom" } }