{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fmm2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.998797 0.154127 ] [ 0.5 0.998797 0.845873 ] [ 0.5 0.498797 0.654127 ] [ 0.5 0.498797 0.345873 ] [ 0 0.498797 0.154127 ] [ 0 0.498797 0.845873 ] [ 0 0.998797 0.654127 ] [ 0 0.998797 0.345873 ] [ 0 0.991712 0 ] [ 0 0.491712 0.5 ] [ 0.5 0.491712 0 ] [ 0.5 0.991712 0.5 ] [ 0.25 0.747425 0.75 ] [ 0.25 0.247425 0.75 ] [ 0.25 0.247425 0.25 ] [ 0.25 0.747425 0.25 ] [ 0.75 0.247425 0.75 ] [ 0.75 0.747425 0.75 ] [ 0.75 0.747425 0.25 ] [ 0.75 0.247425 0.25 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Te" "Te" "Te" "Te" "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" 5.68999306 "source-unit" "angstrom" } "b" { "source-value" 5.69144971 "source-unit" "angstrom" } "c" { "source-value" 12.90288442 "source-unit" "angstrom" } }