{ "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" [ [ 0.223914 0 0.757658 ] [ 0.131462 0 0.471564 ] [ 0.868538 0 0.528436 ] [ 0.776086 0 0.242342 ] [ 0 0 0 ] [ 0.723914 0.5 0.757658 ] [ 0.631462 0.5 0.471564 ] [ 0.368538 0.5 0.528436 ] [ 0.276086 0.5 0.242342 ] [ 0.5 0.5 0 ] [ 0.784748 0.5 0.594207 ] [ 0.215252 0.5 0.405793 ] [ 0.284748 0 0.594207 ] [ 0.715252 0 0.405793 ] [ 0.129937 0.5 0.933951 ] [ 0.918191 0.5 0.357076 ] [ 0.878468 0 0.797621 ] [ 0.870063 0.5 0.066049 ] [ 0.081809 0.5 0.642924 ] [ 0.121532 0 0.202379 ] [ 0.629937 0 0.933951 ] [ 0.418191 0 0.357076 ] [ 0.378468 0.5 0.797621 ] [ 0.370063 0 0.066049 ] [ 0.581809 0 0.642924 ] [ 0.621532 0.5 0.202379 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "I" "I" "I" "I" "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" 15.0666491071 "source-unit" "angstrom" } "b" { "source-value" 4.51710702 "source-unit" "angstrom" } "c" { "source-value" 15.0102914858 "source-unit" "angstrom" } "beta" { "source-value" 98.4801869084 "source-unit" "degree" } }