{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.846084 0.411774 0.5 ] [ 0.911774 0.653916 0 ] [ 0.346084 0.088226 0 ] [ 0.588226 0.153916 0.5 ] [ 0.411774 0.846084 0.5 ] [ 0.088226 0.346084 0 ] [ 0.153916 0.588226 0.5 ] [ 0.653916 0.911774 0 ] [ 0.717916 0.717916 0.5 ] [ 0.282084 0.282084 0.5 ] [ 0.782084 0.217916 0 ] [ 0.217916 0.782084 0 ] ] } "species" { "source-value" [ "Dy" "Dy" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 7.2470794 "source-unit" "angstrom" } "c" { "source-value" 3.76934626 "source-unit" "angstrom" } }