{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.399386 0.601287 0.100632 ] [ 0.600614 0.101287 0.399368 ] [ 0.262936 0.287276 0.252075 ] [ 0.737064 0.787276 0.247925 ] [ 0.737064 0.712724 0.747925 ] [ 0.262936 0.212724 0.752075 ] [ 0.399386 0.898713 0.600632 ] [ 0.600614 0.398713 0.899368 ] ] } "species" { "source-value" [ "Cd" "Cd" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.3320187 "source-unit" "angstrom" } "b" { "source-value" 5.203508 "source-unit" "angstrom" } "c" { "source-value" 7.70939459 "source-unit" "angstrom" } "beta" { "source-value" 99.12163321 "source-unit" "degree" } }