{ "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" [ [ 0.136446 0.863554 0.169731 ] [ 0.272892 0.136446 0.669731 ] [ 0.863554 0.727108 0.669731 ] [ 0.727108 0.863554 0.169731 ] [ 0.863554 0.136446 0.669731 ] [ 0.136446 0.272892 0.169731 ] [ 0.955777 0.477888 0.998847 ] [ 0.522112 0.044223 0.998847 ] [ 0.477888 0.955777 0.498847 ] [ 0.044223 0.522112 0.498847 ] [ 0.522112 0.477888 0.998847 ] [ 0.477888 0.522112 0.498847 ] [ 0.666667 0.333333 0.373322 ] [ 0.333333 0.666667 0.873322 ] [ 0.81113 0.18887 0.278066 ] [ 0.18887 0.37774 0.778066 ] [ 0.81113 0.62226 0.278066 ] [ 0.666667 0.333333 0.717847 ] [ 0.62226 0.81113 0.778066 ] [ 0.333333 0.666667 0.217847 ] [ 0.18887 0.81113 0.778066 ] [ 0.37774 0.18887 0.278066 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ga" "Ga" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.69215558013 "source-unit" "angstrom" } "c" { "source-value" 7.60142214 "source-unit" "angstrom" } }