{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.986512 0 0.750118 ] [ 0.013488 0 0.249882 ] [ 0.486512 0.5 0.750118 ] [ 0.513488 0.5 0.249882 ] [ 0.83515 0.5 0.348292 ] [ 0.16485 0.5 0.651708 ] [ 0.33515 0 0.348292 ] [ 0.66485 0 0.651708 ] [ 0.162148 0.5 0.120143 ] [ 0.837852 0.5 0.879857 ] [ 0.662148 0 0.120143 ] [ 0.337852 0 0.879857 ] [ 0.801699 0 0.704905 ] [ 0.858152 0.7478 0.226946 ] [ 0.198301 0 0.295095 ] [ 0.908959 0.5 0.598552 ] [ 0.141848 0.7478 0.773054 ] [ 0.858152 0.2522 0.226946 ] [ 0 0.763895 0 ] [ 0 0.236105 0 ] [ 0.091041 0.5 0.401448 ] [ 0.141848 0.2522 0.773054 ] [ 0.301699 0.5 0.704905 ] [ 0.358152 0.2478 0.226946 ] [ 0.698301 0.5 0.295095 ] [ 0.408959 0 0.598552 ] [ 0.641848 0.2478 0.773054 ] [ 0.358152 0.7522 0.226946 ] [ 0.5 0.263895 0 ] [ 0.5 0.736105 0 ] [ 0.591041 0 0.401448 ] [ 0.641848 0.7522 0.773054 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "As" "As" "As" "As" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "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" 13.400761601 "source-unit" "angstrom" } "b" { "source-value" 5.62470271287 "source-unit" "angstrom" } "c" { "source-value" 7.24256978387 "source-unit" "angstrom" } "beta" { "source-value" 111.7881336 "source-unit" "degree" } }