{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.798202 0.259785 0.960423 ] [ 0.712965 0.26127 0.418439 ] [ 0.287035 0.76127 0.581561 ] [ 0.201798 0.759785 0.039577 ] [ 0.203404 0.254673 0.789095 ] [ 0.796596 0.754673 0.210905 ] [ 0.371039 0.250002 0.05063 ] [ 0.415545 0.251994 0.642888 ] [ 0.991812 0.505568 0.730302 ] [ 0.628961 0.750002 0.94937 ] [ 0.014537 0.508008 0.274627 ] [ 0.584455 0.751994 0.357112 ] [ 0.008188 0.005568 0.269698 ] [ 0.985463 0.008008 0.725373 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Fe" "Fe" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.90295360915 "source-unit" "angstrom" } "b" { "source-value" 8.42052871 "source-unit" "angstrom" } "c" { "source-value" 10.5704963123 "source-unit" "angstrom" } "beta" { "source-value" 109.416563564 "source-unit" "degree" } }