{ "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" [ [ 0.333333 0.666667 0 ] [ 0.666667 0.333333 0.5 ] [ 0.424775 0.055059 0 ] [ 0.630285 0.575225 0 ] [ 0.944941 0.369715 0 ] [ 0.152391 0.272348 0 ] [ 0.119957 0.847609 0 ] [ 0.727652 0.880043 0 ] [ 0.382451 0.430515 0.5 ] [ 0.048064 0.617549 0.5 ] [ 0.569485 0.951936 0.5 ] [ 0.214007 0.096706 0.5 ] [ 0.882699 0.785993 0.5 ] [ 0.903294 0.117301 0.5 ] [ 0.406738 0.299001 0 ] [ 0.892263 0.593262 0 ] [ 0.700999 0.107737 0 ] [ 0.106937 0.396413 0.5 ] [ 0.289476 0.893063 0.5 ] [ 0.603587 0.710524 0.5 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Nd" "Nd" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 9.04888583054 "source-unit" "angstrom" } "c" { "source-value" 3.68310606 "source-unit" "angstrom" } }