{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.091304 0.545652 0.31582 ] [ 0.545652 0.454348 0.81582 ] [ 0.122406 0.877594 0.989684 ] [ 0.244811 0.122406 0.489684 ] [ 0.877594 0.755189 0.489684 ] [ 0.122406 0.244811 0.989684 ] [ 0.755189 0.877594 0.989684 ] [ 0.877594 0.122406 0.489684 ] [ 0.454348 0.908696 0.31582 ] [ 0.545652 0.091304 0.81582 ] [ 0.908696 0.454348 0.81582 ] [ 0.454348 0.545652 0.31582 ] [ 0.666667 0.333333 0.307889 ] [ 0.333333 0.666667 0.807889 ] [ 0.813441 0.186559 0.095867 ] [ 0.626882 0.813441 0.595867 ] [ 0.186559 0.373118 0.595867 ] [ 0.813441 0.626882 0.095867 ] [ 0.373118 0.186559 0.095867 ] [ 0.186559 0.813441 0.595867 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.82578365987 "source-unit" "angstrom" } "c" { "source-value" 4.49481569 "source-unit" "angstrom" } }