{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.141934 ] [ 0.5 0.5 0.86783 ] [ 0 0.5 0.497689 ] [ 0.5 0 0.497689 ] [ 0 0 0.684559 ] [ 0.5 0.5 0.311225 ] [ 0 0.5 0.003449 ] [ 0.5 0 0.003449 ] ] } "species" { "source-value" [ "Ce" "Ce" "Fe" "Fe" "As" "As" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.99225574686 "source-unit" "angstrom" } "c" { "source-value" 9.04197128464 "source-unit" "angstrom" } }