{ "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" [ [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0.5 ] [ 0.952184 0.578321 0.5 ] [ 0.626137 0.047816 0.5 ] [ 0.421679 0.373863 0.5 ] [ 0.385651 0.945046 0 ] [ 0.559395 0.614349 0 ] [ 0.054954 0.440605 0 ] [ 0.109969 0.903328 0.5 ] [ 0.793359 0.890031 0.5 ] [ 0.096672 0.206641 0.5 ] [ 0.867755 0.721911 0 ] [ 0.854157 0.132245 0 ] [ 0.278089 0.145843 0 ] [ 0 0 0 ] [ 0.699637 0.598236 0.5 ] [ 0.898599 0.300363 0.5 ] [ 0.401764 0.101401 0.5 ] [ 0.112924 0.716692 0 ] [ 0.603768 0.887076 0 ] [ 0.283308 0.396232 0 ] ] } "species" { "source-value" [ "Pr" "Pr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.40095932 "source-unit" "angstrom" } "c" { "source-value" 3.8957431 "source-unit" "angstrom" } }