{ "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" [ [ 0.974751 0.5 0.731068 ] [ 0.025249 0.5 0.268932 ] [ 0.854395 0 0.899009 ] [ 0.145605 0 0.100991 ] [ 0.474751 0 0.731068 ] [ 0.525249 0 0.268932 ] [ 0.354395 0.5 0.899009 ] [ 0.645605 0.5 0.100991 ] [ 0.172423 0 0.657035 ] [ 0.827577 0 0.342965 ] [ 0.672423 0.5 0.657035 ] [ 0.327577 0.5 0.342965 ] [ 0 0.252637 0 ] [ 0 0.747363 0 ] [ 0.788657 0.5 0.712385 ] [ 0.211343 0.5 0.287615 ] [ 0.85357 0.209849 0.252344 ] [ 0.14643 0.209849 0.747656 ] [ 0.110938 0 0.429293 ] [ 0.889062 0 0.570707 ] [ 0.85357 0.790151 0.252344 ] [ 0.14643 0.790151 0.747656 ] [ 0.5 0.752637 0 ] [ 0.5 0.247363 0 ] [ 0.288657 0 0.712385 ] [ 0.711343 0 0.287615 ] [ 0.35357 0.709849 0.252344 ] [ 0.64643 0.709849 0.747656 ] [ 0.610938 0.5 0.429293 ] [ 0.389062 0.5 0.570707 ] [ 0.35357 0.290151 0.252344 ] [ 0.64643 0.290151 0.747656 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.9686471055 "source-unit" "angstrom" } "b" { "source-value" 5.8108326911 "source-unit" "angstrom" } "c" { "source-value" 7.18367613498 "source-unit" "angstrom" } "beta" { "source-value" 114.886883127 "source-unit" "degree" } }