{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.454849 0 0.333333 ] [ 0 0.454849 0.666667 ] [ 0.545151 0.545151 0 ] [ 0.454056 0 0.833333 ] [ 0 0.454056 0.166667 ] [ 0.545944 0.545944 0.5 ] [ 0.292478 0.399404 0.127095 ] [ 0.600596 0.893074 0.460428 ] [ 0.106926 0.707522 0.793762 ] [ 0.893074 0.600596 0.539572 ] [ 0.707522 0.106926 0.206238 ] [ 0.399404 0.292478 0.872905 ] [ 0.397022 0.311453 0.383207 ] [ 0.688547 0.085569 0.71654 ] [ 0.914431 0.602978 0.049874 ] [ 0.085569 0.688547 0.28346 ] [ 0.602978 0.914431 0.950126 ] [ 0.311453 0.397022 0.616793 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.11197318115 "source-unit" "angstrom" } "c" { "source-value" 11.64506554 "source-unit" "angstrom" } }