{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6" } "basis-atom-coordinates" { "source-value" [ [ 0.403893 0.171273 0.5 ] [ 0.412264 0.176999 0 ] [ 0.828727 0.23262 0.5 ] [ 0.823001 0.235265 0 ] [ 0.764735 0.587736 0 ] [ 0.76738 0.596107 0.5 ] [ 0.238259 0.403909 0.257037 ] [ 0.238259 0.403909 0.742963 ] [ 0.16565 0.761741 0.257037 ] [ 0.16565 0.761741 0.742963 ] [ 0.596091 0.83435 0.742963 ] [ 0.596091 0.83435 0.257037 ] [ 0.666667 0.333333 0 ] [ 0.310197 0.335556 0.5 ] [ 0.02536 0.689803 0.5 ] [ 0.664444 0.97464 0.5 ] [ 0.330987 0.026543 0.246394 ] [ 0.330987 0.026543 0.753606 ] [ 0.666667 0.333333 0.5 ] [ 0.973457 0.304443 0.246394 ] [ 0.973457 0.304443 0.753606 ] [ 0.695557 0.669013 0.753606 ] [ 0.695557 0.669013 0.246394 ] [ 0.290245 0.323512 0 ] [ 0.033267 0.709755 0 ] [ 0.333333 0.666667 0.768263 ] [ 0.333333 0.666667 0.231737 ] [ 0.676488 0.966733 0 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "N" "N" "N" "N" "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" 8.24294758 "source-unit" "angstrom" } "c" { "source-value" 6.36602915 "source-unit" "angstrom" } }