{ "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" [ [ 0.930223 0.621679 0.75 ] [ 0.069777 0.378321 0.25 ] [ 0.378321 0.308544 0.75 ] [ 0.691456 0.069777 0.75 ] [ 0.308544 0.930223 0.25 ] [ 0.621679 0.691456 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666667 0.333333 0.25 ] [ 0.155435 0.458085 0.75 ] [ 0.541915 0.69735 0.75 ] [ 0.458085 0.30265 0.25 ] [ 0.844565 0.541915 0.25 ] [ 0.30265 0.844565 0.75 ] [ 0.69735 0.155435 0.25 ] [ 0.033489 0.310711 0.75 ] [ 0.966511 0.689289 0.25 ] [ 0.722778 0.033489 0.25 ] [ 0.689289 0.722778 0.75 ] [ 0.310711 0.277222 0.25 ] [ 0.277222 0.966511 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Co" "Co" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.11995037 "source-unit" "angstrom" } "c" { "source-value" 5.82949634 "source-unit" "angstrom" } }