{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.238509 0.413386 0.25 ] [ 0.586614 0.825123 0.25 ] [ 0.174877 0.761491 0.25 ] [ 0.825123 0.238509 0.75 ] [ 0.413386 0.174877 0.75 ] [ 0.761491 0.586614 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.666667 0.333333 0.75 ] [ 0.292571 0.319063 0.75 ] [ 0.680937 0.973508 0.75 ] [ 0.026492 0.707429 0.75 ] [ 0.973508 0.292571 0.25 ] [ 0.319063 0.026492 0.25 ] [ 0.707429 0.680937 0.25 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "N" "N" "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" 8.31759368 "source-unit" "angstrom" } "c" { "source-value" 3.14282452 "source-unit" "angstrom" } }