{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.119524 0.25 ] [ 0.5 0.880476 0.75 ] [ 0 0.619524 0.25 ] [ 0 0.380476 0.75 ] [ 0 0.138536 0.75 ] [ 0 0.861464 0.25 ] [ 0.5 0.638536 0.75 ] [ 0.5 0.361464 0.25 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.36703784033 "source-unit" "angstrom" } "b" { "source-value" 12.4256377281 "source-unit" "angstrom" } "c" { "source-value" 4.81795046 "source-unit" "angstrom" } }