{ "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" [ [ 0.753524 0.5 0.612072 ] [ 0.246476 0.5 0.387928 ] [ 0.003783 0 0.11267 ] [ 0.996217 0 0.88733 ] [ 0.193534 0.5 0.245616 ] [ 0.806466 0.5 0.754384 ] [ 0.062344 0 0.254 ] [ 0.937656 0 0.746 ] [ 0.253524 0 0.612072 ] [ 0.746476 0 0.387928 ] [ 0.503783 0.5 0.11267 ] [ 0.496217 0.5 0.88733 ] [ 0.693534 0 0.245616 ] [ 0.306466 0 0.754384 ] [ 0.562344 0.5 0.254 ] [ 0.437656 0.5 0.746 ] [ 0.87689 0.5 0.361762 ] [ 0.12311 0.5 0.638238 ] [ 0.12388 0 0.430099 ] [ 0.87612 0 0.569901 ] [ 0.876108 0.5 0.145365 ] [ 0.123892 0.5 0.854635 ] [ 0.124794 0.5 0.069479 ] [ 0.875206 0.5 0.930521 ] [ 0.37689 0 0.361762 ] [ 0.62311 0 0.638238 ] [ 0.62388 0.5 0.430099 ] [ 0.37612 0.5 0.569901 ] [ 0.376108 0 0.145365 ] [ 0.623892 0 0.854635 ] [ 0.624794 0 0.069479 ] [ 0.375206 0 0.930521 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.9519608928 "source-unit" "angstrom" } "b" { "source-value" 4.40810218 "source-unit" "angstrom" } "c" { "source-value" 21.6178508433 "source-unit" "angstrom" } "beta" { "source-value" 96.5768810986 "source-unit" "degree" } }