{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.796568 0 0.898894 ] [ 0.203432 0 0.101106 ] [ 0.5 0.5 0 ] [ 0.895799 0.5 0.197504 ] [ 0.605044 0 0.299539 ] [ 0.2982 0.5 0.397967 ] [ 0 0 0.5 ] [ 0.394956 0 0.700461 ] [ 0.7018 0.5 0.602033 ] [ 0.104201 0.5 0.802496 ] [ 0 0.5 0 ] [ 0.295925 0 0.898662 ] [ 0.704075 0 0.101338 ] [ 0.102584 0 0.303161 ] [ 0.398137 0.5 0.199064 ] [ 0.5 0 0.5 ] [ 0.79814 0.5 0.400783 ] [ 0.20186 0.5 0.599217 ] [ 0.897416 0 0.696839 ] [ 0.601863 0.5 0.800936 ] [ 0.144399 0.738975 0.942633 ] [ 0.144399 0.261025 0.942633 ] [ 0.5 0 0 ] [ 0.807823 0.5 0.894027 ] [ 0.567618 0.748131 0.163603 ] [ 0.567618 0.251869 0.163603 ] [ 0.855601 0.261025 0.057367 ] [ 0.855601 0.738975 0.057367 ] [ 0.895422 0 0.210654 ] [ 0.192177 0.5 0.105973 ] [ 0.955539 0.244288 0.353859 ] [ 0.955539 0.755712 0.353859 ] [ 0.251997 0.255357 0.260767 ] [ 0.251997 0.744643 0.260767 ] [ 0.291356 0 0.401546 ] [ 0.602345 0.5 0.307389 ] [ 0.350415 0.756463 0.548071 ] [ 0.649585 0.243537 0.451929 ] [ 0.649585 0.756463 0.451929 ] [ 0.350415 0.243537 0.548071 ] [ 0 0.5 0.5 ] [ 0.708644 0 0.598454 ] [ 0.044461 0.244288 0.646141 ] [ 0.748003 0.744643 0.739233 ] [ 0.748003 0.255357 0.739233 ] [ 0.044461 0.755712 0.646141 ] [ 0.104578 0 0.789346 ] [ 0.397655 0.5 0.692611 ] [ 0.432382 0.251869 0.836397 ] [ 0.432382 0.748131 0.836397 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "La" "La" "La" "La" "La" "La" "La" "Mn" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.76965269 "source-unit" "angstrom" } "b" { "source-value" 5.55643701 "source-unit" "angstrom" } "c" { "source-value" 16.08031641 "source-unit" "angstrom" } "beta" { "source-value" 98.5799802 "source-unit" "degree" } }