{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6m2" } "basis-atom-coordinates" { "source-value" [ [ 0.490046 0.980093 0.5 ] [ 0.490046 0.509954 0.5 ] [ 0.823654 0.176346 0 ] [ 0.823654 0.647309 0 ] [ 0.019907 0.509954 0.5 ] [ 0.352691 0.176346 0 ] [ 0.503425 0.496575 0 ] [ 0.17021 0.34042 0.5 ] [ 0.17021 0.82979 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.5 ] [ 0.99315 0.496575 0 ] [ 0.65958 0.82979 0.5 ] [ 0.503425 0.00685 0 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "C" "C" "N" "N" "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" 4.78436411125 "source-unit" "angstrom" } "c" { "source-value" 7.07749381 "source-unit" "angstrom" } }