{ "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" [ [ 0.707243 0.5 0.009762 ] [ 0.658312 0.5 0.642406 ] [ 0.632043 0.5 0.348867 ] [ 0.20724 0.5 0.507963 ] [ 0.158636 0.5 0.142447 ] [ 0.132983 0.5 0.849334 ] [ 0.866745 0 0.493717 ] [ 0.808181 0 0.820234 ] [ 0.3655 0 0.994055 ] [ 0.825051 0 0.183921 ] [ 0.324478 0 0.683351 ] [ 0.312081 0 0.31976 ] [ 0.000796 0.5 0.331919 ] [ 0.000232 0 0.001268 ] [ 0.002129 0.5 0.666655 ] [ 0.498178 0.5 0.832409 ] [ 0.498753 0 0.500686 ] [ 0.501321 0.5 0.167503 ] [ 0.991001 0.5 0.569912 ] [ 0.982656 0.5 0.235331 ] [ 0.862972 0.5 0.388646 ] [ 0.861897 0.5 0.720185 ] [ 0.846091 0 0.041847 ] [ 0.65148 0.5 0.874068 ] [ 0.653365 0.5 0.209884 ] [ 0.636513 0 0.556702 ] [ 0.512518 0 0.403466 ] [ 0.489022 0.5 0.070908 ] [ 0.482428 0.5 0.735615 ] [ 0.36076 0.5 0.888669 ] [ 0.361624 0.5 0.222105 ] [ 0.345501 0 0.541808 ] [ 0.154986 0.5 0.372141 ] [ 0.153513 0.5 0.709777 ] [ 0.136939 0 0.058238 ] [ 0.016831 0 0.904441 ] ] } "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" 8.24376074 "source-unit" "angstrom" } "b" { "source-value" 3.1651112 "source-unit" "angstrom" } "c" { "source-value" 14.30912621 "source-unit" "angstrom" } "beta" { "source-value" 90.15147225 "source-unit" "degree" } }