{ "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" [ [ 0.797308 0.873284 0.115983 ] [ 0.797308 0.626716 0.615983 ] [ 0.202692 0.126716 0.884017 ] [ 0.202692 0.373284 0.384017 ] [ 0.784496 0.382875 0.955409 ] [ 0.215504 0.617125 0.044591 ] [ 0.215504 0.882875 0.544591 ] [ 0.784496 0.117125 0.455409 ] [ 0.613166 0.388173 0.189786 ] [ 0.386834 0.611827 0.810214 ] [ 0.613166 0.111827 0.689786 ] [ 0.386834 0.888173 0.310214 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.91284694 "source-unit" "angstrom" } "b" { "source-value" 5.76865579 "source-unit" "angstrom" } "c" { "source-value" 7.80388891 "source-unit" "angstrom" } "beta" { "source-value" 116.18712833 "source-unit" "degree" } }