{ "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 0.330099 0.5 ] [ 0 0.669901 0.5 ] [ 0.5 0.830099 0.5 ] [ 0.5 0.169901 0.5 ] [ 0.163963 0.186434 0.715546 ] [ 0.163963 0.813566 0.715546 ] [ 0.62033 0 0.718191 ] [ 0.37967 0 0.281809 ] [ 0.836037 0.186434 0.284454 ] [ 0.836037 0.813566 0.284454 ] [ 0.663963 0.686434 0.715546 ] [ 0.663963 0.313566 0.715546 ] [ 0.12033 0.5 0.718191 ] [ 0.87967 0.5 0.281809 ] [ 0.336037 0.686434 0.284454 ] [ 0.336037 0.313566 0.284454 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "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" 5.58738039 "source-unit" "angstrom" } "b" { "source-value" 8.87067056 "source-unit" "angstrom" } "c" { "source-value" 4.77170278 "source-unit" "angstrom" } "beta" { "source-value" 90.83250291 "source-unit" "degree" } }