{ "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" [ [ 0.292918 0.5 0.008958 ] [ 0.341382 0.5 0.64278 ] [ 0.367048 0.5 0.348037 ] [ 0.794128 0.5 0.506904 ] [ 0.839824 0.5 0.142084 ] [ 0.865512 0.5 0.850082 ] [ 0.13503 0 0.493969 ] [ 0.674238 0 0.685684 ] [ 0.175895 0 0.183525 ] [ 0.18761 0 0.820661 ] [ 0.635947 0 0.996191 ] [ 0.686721 0 0.320494 ] [ 0.999289 0.5 0.33136 ] [ 0.999523 0 0.00013 ] [ 0.001225 0.5 0.668093 ] [ 0.497971 0.5 0.834792 ] [ 0.50218 0 0.499932 ] [ 0.500111 0.5 0.166409 ] [ 0.010928 0.5 0.570921 ] [ 0.017545 0.5 0.234635 ] [ 0.137354 0.5 0.388225 ] [ 0.142201 0.5 0.72154 ] [ 0.151475 0 0.042559 ] [ 0.343717 0.5 0.874318 ] [ 0.347994 0.5 0.208612 ] [ 0.365026 0 0.556499 ] [ 0.485572 0 0.402473 ] [ 0.512265 0.5 0.06957 ] [ 0.514249 0.5 0.737751 ] [ 0.6353 0.5 0.891407 ] [ 0.639343 0.5 0.221227 ] [ 0.655682 0 0.539317 ] [ 0.846162 0.5 0.371552 ] [ 0.851317 0.5 0.711415 ] [ 0.859997 0 0.054692 ] [ 0.987322 0 0.9032 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Fe" "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" 8.25182474 "source-unit" "angstrom" } "b" { "source-value" 3.14540573 "source-unit" "angstrom" } "c" { "source-value" 14.31751411 "source-unit" "angstrom" } "beta" { "source-value" 90.02122099 "source-unit" "degree" } }