{ "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" [ [ 0.838773 0 0.337153 ] [ 0.161227 0 0.662847 ] [ 0.338773 0.5 0.337153 ] [ 0.661227 0.5 0.662847 ] [ 0.172023 0 0.179218 ] [ 0.5 0 0.5 ] [ 0.827977 0 0.820782 ] [ 0.5 0 0 ] [ 0.672023 0.5 0.179218 ] [ 0 0.5 0.5 ] [ 0.327977 0.5 0.820782 ] [ 0 0.5 0 ] [ 0.725576 0 0.024293 ] [ 0.337561 0.186393 0.338735 ] [ 0.337561 0.813607 0.338735 ] [ 0.067688 0 0.36309 ] [ 0.932312 0 0.63691 ] [ 0.162439 0.313607 0.661265 ] [ 0.162439 0.686393 0.661265 ] [ 0.274424 0 0.975707 ] [ 0.404939 0 0.712323 ] [ 0 0.807591 0 ] [ 0 0.192409 0 ] [ 0.595061 0 0.287677 ] [ 0.225576 0.5 0.024293 ] [ 0.837561 0.686393 0.338735 ] [ 0.837561 0.313607 0.338735 ] [ 0.567688 0.5 0.36309 ] [ 0.432312 0.5 0.63691 ] [ 0.662439 0.813607 0.661265 ] [ 0.662439 0.186393 0.661265 ] [ 0.774424 0.5 0.975707 ] [ 0.904939 0.5 0.712323 ] [ 0.5 0.307591 0 ] [ 0.5 0.692409 0 ] [ 0.095061 0.5 0.287677 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.2346242 "source-unit" "angstrom" } "b" { "source-value" 6.95133265 "source-unit" "angstrom" } "c" { "source-value" 7.41656481 "source-unit" "angstrom" } "beta" { "source-value" 110.68570465 "source-unit" "degree" } }