{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.965188 0.371099 0 ] [ 0.260981 0.93298 0.5 ] [ 0.3185 0.6815 0.749692 ] [ 0.128901 0.465188 0.5 ] [ 0.871099 0.534812 0.5 ] [ 0.895121 0.104879 0 ] [ 0.8185 0.8185 0.750308 ] [ 0.1815 0.1815 0.249692 ] [ 0.739019 0.06702 0.5 ] [ 0.93298 0.260981 0.5 ] [ 0.395121 0.395121 0.5 ] [ 0.5 0.5 0 ] [ 0.534812 0.871099 0.5 ] [ 0.56702 0.760981 0 ] [ 0.034812 0.628901 0 ] [ 0.604879 0.604879 0.5 ] [ 0.3185 0.6815 0.250308 ] [ 0.6815 0.3185 0.250308 ] [ 0 0 0.5 ] [ 0.8185 0.8185 0.249692 ] [ 0.6815 0.3185 0.749692 ] [ 0.43298 0.239019 0 ] [ 0.1815 0.1815 0.750308 ] [ 0.760981 0.56702 0 ] [ 0.371099 0.965188 0 ] [ 0.06702 0.739019 0.5 ] [ 0.628901 0.034812 0 ] [ 0.465188 0.128901 0.5 ] [ 0.239019 0.43298 0 ] [ 0.104879 0.895121 0 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.24957404 "source-unit" "angstrom" } "c" { "source-value" 5.34421987 "source-unit" "angstrom" } }