{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.620373 0.688543 0.75 ] [ 0.93183 0.620373 0.25 ] [ 0.688543 0.06817 0.25 ] [ 0.311457 0.93183 0.75 ] [ 0.06817 0.379627 0.75 ] [ 0.379627 0.311457 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0.959552 0.775497 0.75 ] [ 0.184055 0.959552 0.25 ] [ 0.775497 0.815945 0.25 ] [ 0.224503 0.184055 0.75 ] [ 0.815945 0.040448 0.75 ] [ 0.040448 0.224503 0.25 ] [ 0.862922 0.57975 0.75 ] [ 0.283171 0.862922 0.25 ] [ 0.57975 0.716829 0.25 ] [ 0.42025 0.283171 0.75 ] [ 0.137078 0.42025 0.25 ] [ 0.716829 0.137078 0.75 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Mn" "Mn" "Mn" "Mn" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.0870311597 "source-unit" "angstrom" } "c" { "source-value" 5.07225973 "source-unit" "angstrom" } }