{ "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" [ [ 0.313829 0.816698 0.60668 ] [ 0.313829 0.683302 0.10668 ] [ 0.686171 0.316698 0.89332 ] [ 0.686171 0.183302 0.39332 ] [ 0.143468 0.506244 0.872302 ] [ 0.143468 0.993756 0.372302 ] [ 0.856532 0.006244 0.627698 ] [ 0.856532 0.493756 0.127698 ] [ 0.059302 0.665793 0.689167 ] [ 0.059302 0.834207 0.189167 ] [ 0.175912 0.151586 0.556289 ] [ 0.175912 0.348414 0.056289 ] [ 0.319221 0.819761 0.935943 ] [ 0.319221 0.680239 0.435943 ] [ 0.406307 0.319703 0.797927 ] [ 0.406307 0.180297 0.297927 ] [ 0.593693 0.819703 0.702073 ] [ 0.593693 0.680297 0.202073 ] [ 0.680779 0.319761 0.564057 ] [ 0.680779 0.180239 0.064057 ] [ 0.824088 0.651586 0.943711 ] [ 0.824088 0.848414 0.443711 ] [ 0.940698 0.165793 0.810833 ] [ 0.940698 0.334207 0.310833 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Pb" "Pb" "Pb" "Pb" "I" "I" "I" "I" "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" 9.35560609 "source-unit" "angstrom" } "b" { "source-value" 7.91114419 "source-unit" "angstrom" } "c" { "source-value" 16.33129046 "source-unit" "angstrom" } "beta" { "source-value" 92.14120558 "source-unit" "degree" } }