{ "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 0.492654 0.762844 ] [ 0.75 0.992654 0.737156 ] [ 0.25 0.007346 0.262844 ] [ 0.25 0.507346 0.237156 ] [ 0.25 0.814679 0.962061 ] [ 0.75 0.685321 0.462061 ] [ 0.25 0.314679 0.537939 ] [ 0.75 0.185321 0.037939 ] [ 0.25 0.554024 0.619319 ] [ 0.75 0.251666 0.676524 ] [ 0.75 0.751666 0.823476 ] [ 0.25 0.248334 0.176524 ] [ 0.75 0.945976 0.119319 ] [ 0.25 0.748334 0.323476 ] [ 0.25 0.054024 0.880681 ] [ 0.75 0.445976 0.380681 ] [ 0.25 0.430946 0.887286 ] [ 0.75 0.069054 0.387286 ] [ 0.25 0.930946 0.612714 ] [ 0.75 0.569054 0.112714 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "Sb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 3.98378134 "source-unit" "angstrom" } "b" { "source-value" 10.10298476 "source-unit" "angstrom" } "c" { "source-value" 13.0148931 "source-unit" "angstrom" } }