{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.079036 0.75 0.095974 ] [ 0.079036 0.25 0.404026 ] [ 0.920964 0.25 0.904026 ] [ 0.920964 0.75 0.595974 ] [ 0.54164 0.75 0.331091 ] [ 0.54164 0.25 0.168909 ] [ 0.45836 0.25 0.668909 ] [ 0.45836 0.75 0.831091 ] [ 0.570312 0.5 0.75 ] [ 0.429688 0 0.25 ] [ 0.429688 0.5 0.25 ] [ 0.570312 0 0.75 ] [ 0.427089 0.75 0.468114 ] [ 0.427089 0.25 0.031886 ] [ 0.572911 0.25 0.531886 ] [ 0.572911 0.75 0.968114 ] [ 0.141572 0.75 0.837727 ] [ 0.141572 0.25 0.662273 ] [ 0.858428 0.25 0.162273 ] [ 0.858428 0.75 0.337727 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "V" "V" "V" "V" "O" "O" "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" 5.3056685 "source-unit" "angstrom" } "b" { "source-value" 5.92083627 "source-unit" "angstrom" } "c" { "source-value" 11.35166193 "source-unit" "angstrom" } }