{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.838586 ] [ 0.5 0 0.161414 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.651335 ] [ 0 0.5 0.348665 ] [ 0 0.5 0.150665 ] [ 0.5 0 0.849335 ] ] } "species" { "source-value" [ "Lu" "Lu" "Ni" "Ni" "B" "B" "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" 3.49945877 "source-unit" "angstrom" } "c" { "source-value" 7.5410796 "source-unit" "angstrom" } }