{ "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" [ [ 0.5 0 0.5851 ] [ 0 0.5 0.4149 ] [ 0.5 0 0.084365 ] [ 0 0.5 0.915635 ] [ 0 0.862783 0.842623 ] [ 0 0.137217 0.842623 ] [ 0.637217 0.5 0.842623 ] [ 0.362783 0.5 0.842623 ] [ 0.862783 0 0.157377 ] [ 0.5 0.637217 0.157377 ] [ 0.5 0.362783 0.157377 ] [ 0.137217 0 0.157377 ] [ 0.25 0.75 0 ] [ 0.25 0.25 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0 0.747341 0.183233 ] [ 0 0.252659 0.183233 ] [ 0.247341 0.5 0.183233 ] [ 0.752659 0.5 0.183233 ] [ 0.252659 0 0.816767 ] [ 0.5 0.247341 0.816767 ] [ 0.5 0.752659 0.816767 ] [ 0.747341 0 0.816767 ] [ 0.827365 0.327365 0.654974 ] [ 0.172635 0.672635 0.654974 ] [ 0.172635 0.327365 0.654974 ] [ 0.827365 0.672635 0.654974 ] [ 0.327365 0.827365 0.345026 ] [ 0.327365 0.172635 0.345026 ] [ 0.672635 0.827365 0.345026 ] [ 0.672635 0.172635 0.345026 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.75991055 "source-unit" "angstrom" } "c" { "source-value" 7.25303542 "source-unit" "angstrom" } }