{ "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" [ [ 0.137457 0.637457 0 ] [ 0.862543 0.362543 0 ] [ 0.362543 0.137457 0 ] [ 0.637457 0.862543 0 ] [ 0.943547 0.869915 0 ] [ 0.056453 0.130085 0 ] [ 0.434708 0.934708 0.5 ] [ 0 0 0.692144 ] [ 0.934708 0.565292 0.5 ] [ 0.630085 0.556453 0 ] [ 0.065292 0.434708 0.5 ] [ 0.5 0.5 0.307856 ] [ 0.869915 0.056453 0 ] [ 0 0 0.307856 ] [ 0.369915 0.443547 0 ] [ 0.130085 0.943547 0 ] [ 0.5 0.5 0.692144 ] [ 0.565292 0.065292 0.5 ] [ 0.556453 0.369915 0 ] [ 0.443547 0.630085 0 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "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" 8.40141322 "source-unit" "angstrom" } "c" { "source-value" 4.18280936 "source-unit" "angstrom" } }