{ "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 ] [ 0.5 0.5 0 ] [ 0.358486 0 0.37525 ] [ 0.641514 0 0.62475 ] [ 0.858486 0.5 0.37525 ] [ 0.141514 0.5 0.62475 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.107155 0.813747 0.141693 ] [ 0.892845 0.186253 0.858307 ] [ 0.107155 0.186253 0.141693 ] [ 0.892678 0 0.255982 ] [ 0.107322 0 0.744018 ] [ 0.892845 0.813747 0.858307 ] [ 0.607155 0.313747 0.141693 ] [ 0.392845 0.686253 0.858307 ] [ 0.607155 0.686253 0.141693 ] [ 0.392678 0.5 0.255982 ] [ 0.607322 0.5 0.744018 ] [ 0.392845 0.313747 0.858307 ] ] } "species" { "source-value" [ "As" "As" "S" "S" "S" "S" "N" "N" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.6030773 "source-unit" "angstrom" } "b" { "source-value" 6.74881653 "source-unit" "angstrom" } "c" { "source-value" 5.45920714 "source-unit" "angstrom" } "beta" { "source-value" 92.44049984 "source-unit" "degree" } }