{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.716832 0.749443 0.698356 ] [ 0.716832 0.250557 0.698356 ] [ 0.983162 0.749569 0.284549 ] [ 0.983162 0.250431 0.284549 ] [ 0.301263 0.249648 0.015944 ] [ 0.301263 0.750352 0.015944 ] [ 0.628154 0 0.988162 ] [ 0.626767 0.5 0.987976 ] [ 0.359365 0 0.371739 ] [ 0.359207 0.5 0.366233 ] [ 0.007975 0 0.640967 ] [ 0.008133 0.5 0.640385 ] [ 0.001793 0 0.999179 ] [ 0.001758 0.5 0.001698 ] [ 0.667897 0.748158 0.335939 ] [ 0.667897 0.251842 0.335939 ] [ 0.330619 0.748509 0.664503 ] [ 0.330619 0.251491 0.664503 ] [ 0.892709 0.5 0.808041 ] [ 0.888782 0 0.805172 ] [ 0.861882 0.74984 0.443736 ] [ 0.861882 0.25016 0.443736 ] [ 0.920916 0 0.112206 ] [ 0.919004 0.5 0.112334 ] [ 0.559636 0.745961 0.421279 ] [ 0.559636 0.254039 0.421279 ] [ 0.582078 0.750106 0.142525 ] [ 0.582078 0.249894 0.142525 ] [ 0.52494 0.749543 0.777245 ] [ 0.52494 0.250457 0.777245 ] [ 0.194871 0 0.078568 ] [ 0.196415 0.5 0.085036 ] [ 0.217632 0.749791 0.745447 ] [ 0.217632 0.250209 0.745447 ] [ 0.251136 0.253057 0.471631 ] [ 0.251136 0.746943 0.471631 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.25563167 "source-unit" "angstrom" } "b" { "source-value" 6.32313968 "source-unit" "angstrom" } "c" { "source-value" 8.26418725 "source-unit" "angstrom" } "beta" { "source-value" 119.86735356 "source-unit" "degree" } }