{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0.735667 0.138888 0.740412 ] [ 0.264333 0.638888 0.759588 ] [ 0.735667 0.361112 0.240412 ] [ 0.264333 0.861112 0.259588 ] [ 0.011111 0.44589 0.237435 ] [ 0.757533 0.187863 0.895286 ] [ 0.4538 0.18368 0.593877 ] [ 0.5462 0.68368 0.906123 ] [ 0.242467 0.687863 0.604714 ] [ 0.988889 0.94589 0.262565 ] [ 0.011111 0.05411 0.737435 ] [ 0.757533 0.312137 0.395286 ] [ 0.4538 0.31632 0.093877 ] [ 0.5462 0.81632 0.406123 ] [ 0.242467 0.812137 0.104714 ] [ 0.988889 0.55411 0.762565 ] ] } "species" { "source-value" [ "Li" "Li" "Bi" "Bi" "B" "B" "B" "B" "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" 4.62087811 "source-unit" "angstrom" } "b" { "source-value" 5.98673756 "source-unit" "angstrom" } "c" { "source-value" 9.08124481 "source-unit" "angstrom" } "beta" { "source-value" 117.79328681 "source-unit" "degree" } }