{ "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" [ [ 0.666667 0.333333 0 ] [ 0.2409 0.481799 0.5 ] [ 0.2409 0.7591 0.5 ] [ 0.526327 0.052655 0.5 ] [ 0.526327 0.473673 0.5 ] [ 0.947345 0.473673 0.5 ] [ 0.994845 0.279221 0 ] [ 0.720779 0.715624 0 ] [ 0.720779 0.005155 0 ] [ 0.994845 0.715624 0 ] [ 0.284376 0.279221 0 ] [ 0 0 0 ] [ 0.518201 0.7591 0.5 ] [ 0.284376 0.005155 0 ] [ 0.412325 0.206162 0.5 ] [ 0.132293 0.566147 0 ] [ 0.433853 0.566147 0 ] [ 0.433853 0.867707 0 ] [ 0.80631 0.903155 0.5 ] [ 0.096845 0.903155 0.5 ] [ 0.096845 0.19369 0.5 ] [ 0.793838 0.206162 0.5 ] [ 0.793838 0.587675 0.5 ] ] } "species" { "source-value" [ "U" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.8837173003 "source-unit" "angstrom" } "c" { "source-value" 3.3150868 "source-unit" "angstrom" } }