{ "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" [ [ 0.75 0.4781 0.744401 ] [ 0.25 0.5219 0.2556 ] [ 0.75 0.9781 0.755599 ] [ 0.25 0.0219 0.2444 ] [ 0.25 0.235054 0.72178 ] [ 0.75 0.764946 0.27822 ] [ 0.25 0.735054 0.77822 ] [ 0.75 0.264946 0.22178 ] [ 0.75 0.223497 0.506047 ] [ 0.25 0.776503 0.493953 ] [ 0.75 0.723497 0.993953 ] [ 0.25 0.276503 0.006047 ] [ 0.75 0.955045 0.384987 ] [ 0.25 0.044955 0.615013 ] [ 0.75 0.455045 0.115013 ] [ 0.25 0.544955 0.884987 ] [ 0.25 0.912488 0.892287 ] [ 0.75 0.087512 0.107713 ] [ 0.25 0.412488 0.607713 ] [ 0.75 0.587512 0.392287 ] [ 0.75 0.731377 0.669507 ] [ 0.25 0.268623 0.330493 ] [ 0.75 0.231377 0.830493 ] [ 0.25 0.768623 0.169507 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Cu" "Cu" "Cu" "Cu" "Pb" "Pb" "Pb" "Pb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.05787976 "source-unit" "angstrom" } "b" { "source-value" 10.60629409 "source-unit" "angstrom" } "c" { "source-value" 13.66680257 "source-unit" "angstrom" } }