{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.691191 0.775714 0.60386 ] [ 0.308809 0.224286 0.39614 ] [ 0.758616 0.294136 0.684042 ] [ 0.241384 0.705864 0.315958 ] [ 0.725379 0.116925 0.965777 ] [ 0.231186 0.557252 0.704742 ] [ 0.274621 0.883075 0.034223 ] [ 0.72724 0.62044 0.96919 ] [ 0.27276 0.37956 0.03081 ] [ 0.768814 0.442748 0.295258 ] [ 0.23324 0.0463 0.702043 ] [ 0.76676 0.9537 0.297957 ] [ 0.994761 0.313907 0.771176 ] [ 0.279741 0.898395 0.405107 ] [ 0.401909 0.686347 0.231226 ] [ 0.518802 0.810185 0.742595 ] [ 0.641075 0.895822 0.084457 ] [ 0.720259 0.101605 0.594893 ] [ 0.481198 0.189815 0.257405 ] [ 0.358925 0.104178 0.915543 ] [ 0.647717 0.39516 0.080265 ] [ 0.277008 0.554108 0.402826 ] [ 0.352283 0.60484 0.919735 ] [ 0.013451 0.807625 0.72865 ] [ 0.986549 0.192375 0.27135 ] [ 0.722992 0.445892 0.597174 ] [ 0.005239 0.686093 0.228824 ] [ 0.598091 0.313653 0.768774 ] ] } "species" { "source-value" [ "Bi" "Bi" "P" "P" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "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" 6.44437221326 "source-unit" "angstrom" } "b" { "source-value" 7.35105746622 "source-unit" "angstrom" } "c" { "source-value" 11.0548212728 "source-unit" "angstrom" } "alpha" { "source-value" 99.3080072747 "source-unit" "degree" } "beta" { "source-value" 105.315619131 "source-unit" "degree" } "gamma" { "source-value" 90.1484878608 "source-unit" "degree" } }