{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.789642 0.5 0.190566 ] [ 0.210358 0.5 0.809434 ] [ 0.289642 0 0.190566 ] [ 0.710358 0 0.809434 ] [ 0.86205 0.5 0.949517 ] [ 0.925485 0 0.242441 ] [ 0.13795 0.5 0.050483 ] [ 0.074515 0 0.757559 ] [ 0.36205 0 0.949517 ] [ 0.425485 0.5 0.242441 ] [ 0.63795 0 0.050483 ] [ 0.574515 0.5 0.757559 ] [ 0.132671 0.5 0.430814 ] [ 0.867329 0.5 0.569186 ] [ 0.632671 0 0.430814 ] [ 0.367329 0 0.569186 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "Sb" "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" 12.7257145625 "source-unit" "angstrom" } "b" { "source-value" 3.86265467 "source-unit" "angstrom" } "c" { "source-value" 9.59898933039 "source-unit" "angstrom" } "beta" { "source-value" 91.459171078 "source-unit" "degree" } }