{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.47024 0.904309 ] [ 0.25 0.97024 0.595691 ] [ 0.25 0.52976 0.095691 ] [ 0.75 0.02976 0.404309 ] [ 0.25 0.734605 0.344756 ] [ 0.25 0.765395 0.844756 ] [ 0.75 0.234605 0.155244 ] [ 0.75 0.265395 0.655244 ] [ 0.25 0.356281 0.395916 ] [ 0.75 0.643719 0.604084 ] [ 0.75 0.856281 0.104084 ] [ 0.25 0.143719 0.895916 ] [ 0.25 0.024631 0.44258 ] [ 0.75 0.975369 0.55742 ] [ 0.75 0.524631 0.05742 ] [ 0.25 0.475369 0.94258 ] [ 0.25 0.40108 0.195874 ] [ 0.75 0.59892 0.804126 ] [ 0.75 0.90108 0.304126 ] [ 0.75 0.300071 0.848542 ] [ 0.75 0.199929 0.348542 ] [ 0.25 0.800071 0.651458 ] [ 0.25 0.699929 0.151458 ] [ 0.25 0.09892 0.695874 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "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" 3.86939203 "source-unit" "angstrom" } "b" { "source-value" 9.8923165 "source-unit" "angstrom" } "c" { "source-value" 12.79130501 "source-unit" "angstrom" } }