{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.842996 0.25 0.316001 ] [ 0.157004 0.75 0.683999 ] [ 0.444596 0.75 0.213111 ] [ 0.555404 0.25 0.786889 ] [ 0.363427 0.25 0.111885 ] [ 0.945009 0.75 0.404806 ] [ 0.054991 0.25 0.595194 ] [ 0.636573 0.75 0.888115 ] [ 0.674994 0.75 0.037562 ] [ 0.652352 0.25 0.151868 ] [ 0.236327 0.055246 0.169952 ] [ 0.236327 0.444754 0.169952 ] [ 0.79559 0.558845 0.330865 ] [ 0.79559 0.941155 0.330865 ] [ 0.224535 0.75 0.396109 ] [ 0.104823 0.25 0.450284 ] [ 0.895177 0.75 0.549716 ] [ 0.775465 0.25 0.603891 ] [ 0.20441 0.058845 0.669135 ] [ 0.20441 0.441155 0.669135 ] [ 0.763673 0.555246 0.830048 ] [ 0.763673 0.944754 0.830048 ] [ 0.347648 0.75 0.848132 ] [ 0.325006 0.25 0.962438 ] ] } "species" { "source-value" [ "Cu" "Cu" "Bi" "Bi" "P" "P" "P" "P" "O" "O" "O" "O" "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" 5.40014326 "source-unit" "angstrom" } "b" { "source-value" 6.28685757 "source-unit" "angstrom" } "c" { "source-value" 10.35581418 "source-unit" "angstrom" } "beta" { "source-value" 96.2779589 "source-unit" "degree" } }