{ "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 0.669445 ] [ 0 0 0 ] [ 0.333333 0.666667 0.330555 ] [ 0.666667 0.333333 0.185651 ] [ 0.333333 0.666667 0.814349 ] [ 0.178754 0.821246 0.68466 ] [ 0.178754 0.357508 0.68466 ] [ 0.5 0.5 0 ] [ 0.821246 0.642492 0.31534 ] [ 0.357508 0.178754 0.31534 ] [ 0.642492 0.821246 0.68466 ] [ 0.821246 0.178754 0.31534 ] [ 0 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Fe" "Fe" "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" 7.36206655002 "source-unit" "angstrom" } "c" { "source-value" 8.96430348 "source-unit" "angstrom" } }