{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.81221 0.5 ] [ 0.18779 0.18779 0.5 ] [ 0.81221 0 0.5 ] [ 0.666667 0.333333 0 ] [ 0.333333 0.666667 0 ] [ 0 0.284574 0.5 ] [ 0.379986 0.182595 0 ] [ 0.802608 0.620014 0 ] [ 0.817405 0.197392 0 ] [ 0.182595 0.379986 0 ] [ 0.197392 0.817405 0 ] [ 0.874822 0.514662 0.5 ] [ 0.639841 0.125178 0.5 ] [ 0.485338 0.360159 0.5 ] [ 0.360159 0.485338 0.5 ] [ 0.125178 0.639841 0.5 ] [ 0.514662 0.874822 0.5 ] [ 0.284574 0 0.5 ] [ 0 0.447007 0 ] [ 0.552993 0.552993 0 ] [ 0.447007 0 0 ] [ 0 0 0 ] [ 0.620014 0.802608 0 ] [ 0.715426 0.715426 0.5 ] [ 0.687329 0.520593 0.5 ] [ 0.479407 0.166736 0.5 ] [ 0.833264 0.312671 0.5 ] [ 0.312671 0.833264 0.5 ] [ 0.166736 0.479407 0.5 ] [ 0.821848 0.821848 0 ] [ 0.178152 0 0 ] [ 0 0.632623 0 ] [ 0.367377 0.367377 0 ] [ 0.632623 0 0 ] [ 0.520593 0.687329 0.5 ] [ 0 0.178152 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "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" 12.05114143 "source-unit" "angstrom" } "c" { "source-value" 3.72990277 "source-unit" "angstrom" } }