{ "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" [ [ 0.735463 0 0.751434 ] [ 0.264537 0 0.248566 ] [ 0.75 0.25 0.5 ] [ 0 0.261652 0 ] [ 0.25 0.25 0.5 ] [ 0 0.738348 0 ] [ 0.235463 0.5 0.751434 ] [ 0.764537 0.5 0.248566 ] [ 0.25 0.75 0.5 ] [ 0.5 0.761652 0 ] [ 0.75 0.75 0.5 ] [ 0.5 0.238348 0 ] [ 0.49858 0 0.751125 ] [ 0.993138 0 0.753029 ] [ 0.006862 0 0.246971 ] [ 0.50142 0 0.248875 ] [ 0.99858 0.5 0.751125 ] [ 0.493138 0.5 0.753029 ] [ 0.506862 0.5 0.246971 ] [ 0.00142 0.5 0.248875 ] [ 0.771539 0.768891 0.251382 ] [ 0.728461 0.268891 0.748618 ] [ 0.228461 0.231109 0.748618 ] [ 0.271539 0.731109 0.251382 ] [ 0.271539 0.268891 0.251382 ] [ 0.228461 0.768891 0.748618 ] [ 0.728461 0.731109 0.748618 ] [ 0.771539 0.231109 0.251382 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.4792611268 "source-unit" "angstrom" } "b" { "source-value" 8.11400262073 "source-unit" "angstrom" } "c" { "source-value" 7.99791587831 "source-unit" "angstrom" } "beta" { "source-value" 135.958373319 "source-unit" "degree" } }