{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/n" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.829813 ] [ 0.5 0 0.170187 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.714659 0.465463 0.722965 ] [ 0.965463 0.785341 0.722965 ] [ 0.034537 0.214659 0.722965 ] [ 0.285341 0.534537 0.722965 ] [ 0 0.5 0.18045 ] [ 0.5 0 0.81955 ] [ 0.214659 0.965463 0.277035 ] [ 0.465463 0.285341 0.277035 ] [ 0.534537 0.714659 0.277035 ] [ 0.785341 0.034537 0.277035 ] ] } "species" { "source-value" [ "V" "V" "Mo" "Mo" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.72160371 "source-unit" "angstrom" } "c" { "source-value" 4.65537694 "source-unit" "angstrom" } }