{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3c1" } "basis-atom-coordinates" { "source-value" [ [ 0.682776 0.067784 0.079228 ] [ 0.932216 0.614992 0.079228 ] [ 0.385008 0.317224 0.079228 ] [ 0.614992 0.932216 0.420772 ] [ 0.317224 0.385008 0.420772 ] [ 0.067784 0.682776 0.420772 ] [ 0.317224 0.932216 0.920772 ] [ 0.067784 0.385008 0.920772 ] [ 0.614992 0.682776 0.920772 ] [ 0.385008 0.067784 0.579228 ] [ 0.682776 0.614992 0.579228 ] [ 0.932216 0.317224 0.579228 ] [ 0.333333 0.666667 0.673326 ] [ 0.666667 0.333333 0.826674 ] [ 0.666667 0.333333 0.326674 ] [ 0.333333 0.666667 0.173326 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.319655 0.319655 0.75 ] [ 0 0.680345 0.75 ] [ 0.680345 0 0.75 ] [ 0.680345 0.680345 0.25 ] [ 0 0.319655 0.25 ] [ 0.319655 0 0.25 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.95793084207 "source-unit" "angstrom" } "c" { "source-value" 7.1484066 "source-unit" "angstrom" } }