{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pb2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.756571 0.668412 0.250749 ] [ 0.243429 0.168412 0.749251 ] [ 0.243429 0.168412 0.250749 ] [ 0.756571 0.668412 0.749251 ] [ 0.261003 0.694595 0.5 ] [ 0.738997 0.194595 0.5 ] [ 0.750259 0.116696 0 ] [ 0.249741 0.616696 0 ] [ 0.04985 0.841384 0.79524 ] [ 0.95015 0.341384 0.20476 ] [ 0.95015 0.341384 0.79524 ] [ 0.04985 0.841384 0.20476 ] [ 0.444575 0.439411 0.702494 ] [ 0.555425 0.939411 0.297506 ] [ 0.555425 0.939411 0.702494 ] [ 0.444575 0.439411 0.297506 ] [ 0.161993 0.110984 0.5 ] [ 0.838007 0.610984 0.5 ] [ 0.336738 0.169411 0 ] [ 0.663262 0.669411 0 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Cd" "Cd" "Cd" "Cd" "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" 5.4007474 "source-unit" "angstrom" } "b" { "source-value" 5.52300911 "source-unit" "angstrom" } "c" { "source-value" 7.69216267 "source-unit" "angstrom" } }