{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.537157 ] [ 0.333333 0.666667 0.462843 ] [ 0 0 0 ] [ 0.236722 0.763278 0.676751 ] [ 0.236722 0.473444 0.676751 ] [ 0.526556 0.763278 0.676751 ] [ 0.096497 0.903503 0.214348 ] [ 0.096497 0.192995 0.214348 ] [ 0.807005 0.903503 0.214348 ] [ 0.192995 0.096497 0.785652 ] [ 0.903503 0.807005 0.785652 ] [ 0.903503 0.096497 0.785652 ] [ 0.429771 0.570229 0.248155 ] [ 0.429771 0.859542 0.248155 ] [ 0.140458 0.570229 0.248155 ] [ 0.859542 0.429771 0.751845 ] [ 0.570229 0.140458 0.751845 ] [ 0.570229 0.429771 0.751845 ] [ 0.763278 0.236722 0.323249 ] [ 0.763278 0.526556 0.323249 ] [ 0.473444 0.236722 0.323249 ] ] } "species" { "source-value" [ "W" "W" "W" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.2747107607 "source-unit" "angstrom" } "c" { "source-value" 6.21537025 "source-unit" "angstrom" } }