{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.138079 0.299611 0.19306 ] [ 0.638079 0.700389 0.19306 ] [ 0.25 0.803037 0.5 ] [ 0.75 0.196963 0.5 ] [ 0.361921 0.299611 0.80694 ] [ 0.861921 0.700389 0.80694 ] [ 0.471546 0.437588 0.300375 ] [ 0.971546 0.562412 0.300375 ] [ 0.041588 0.075838 0.362104 ] [ 0.541588 0.924162 0.362104 ] [ 0.458412 0.075838 0.637896 ] [ 0.958412 0.924162 0.637896 ] [ 0.028454 0.437588 0.699625 ] [ 0.528454 0.562412 0.699625 ] [ 0.25 0.622604 0 ] [ 0.75 0.377396 0 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.76543756 "source-unit" "angstrom" } "b" { "source-value" 5.85408164 "source-unit" "angstrom" } "c" { "source-value" 9.08894947 "source-unit" "angstrom" } "beta" { "source-value" 99.06840177 "source-unit" "degree" } }