{ "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" [ [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.116677 0 0.773036 ] [ 0.883323 0 0.226964 ] [ 0.616677 0.5 0.773036 ] [ 0.383323 0.5 0.226964 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.827867 0 0.345815 ] [ 0.172133 0 0.654185 ] [ 0.327867 0.5 0.345815 ] [ 0.672133 0.5 0.654185 ] ] } "species" { "source-value" [ "K" "K" "C" "C" "C" "C" "I" "I" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.55746405329 "source-unit" "angstrom" } "b" { "source-value" 4.63085210393 "source-unit" "angstrom" } "c" { "source-value" 9.1628130548 "source-unit" "angstrom" } "beta" { "source-value" 91.4158929632 "source-unit" "degree" } }