{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.562528 ] [ 0.666667 0.333333 0.312451 ] [ 0.666667 0.333333 0.812459 ] [ 0.666667 0.333333 0.062548 ] [ 0.333333 0.666667 0.371229 ] [ 0.333333 0.666667 0.121321 ] [ 0.333333 0.666667 0.871234 ] [ 0 0 0.003781 ] [ 0.666667 0.333333 0.503741 ] [ 0 0 0.753702 ] [ 0.333333 0.666667 0.621309 ] [ 0 0 0.253696 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "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" 4.35149066 "source-unit" "angstrom" } "c" { "source-value" 29.30577978 "source-unit" "angstrom" } }