{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.182253 0.682253 0 ] [ 0.682253 0.817747 0 ] [ 0.317747 0.182253 0 ] [ 0.817747 0.317747 0 ] [ 0.323909 0.461268 0.5 ] [ 0.676091 0.538732 0.5 ] [ 0.538732 0.323909 0.5 ] [ 0.461268 0.676091 0.5 ] [ 0 0 0.203002 ] [ 0.5 0.5 0.796998 ] [ 0 0 0.796998 ] [ 0.5 0.5 0.203002 ] [ 0.587097 0.087097 0.5 ] [ 0.087097 0.412903 0.5 ] [ 0.912903 0.587097 0.5 ] [ 0.412903 0.912903 0.5 ] [ 0.038732 0.176091 0.5 ] [ 0.176091 0.961268 0.5 ] [ 0.823909 0.038732 0.5 ] [ 0.961268 0.823909 0.5 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.10183756 "source-unit" "angstrom" } "c" { "source-value" 4.01929206 "source-unit" "angstrom" } }