{ "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" [ [ 0.715164 0.749505 0.697944 ] [ 0.715164 0.250495 0.697944 ] [ 0.984179 0.750597 0.285894 ] [ 0.984179 0.249403 0.285894 ] [ 0.301686 0.250716 0.016215 ] [ 0.301686 0.749284 0.016215 ] [ 0.626771 0 0.987158 ] [ 0.63304 0.5 0.992795 ] [ 0.359239 0 0.367064 ] [ 0.360059 0.5 0.368286 ] [ 0.007937 0 0.641007 ] [ 0.008019 0.5 0.639664 ] [ 0.002096 0 0.00174 ] [ 0.999856 0.5 0.99993 ] [ 0.666578 0.748249 0.334488 ] [ 0.666578 0.251751 0.334488 ] [ 0.332091 0.748447 0.664985 ] [ 0.332091 0.251553 0.664985 ] [ 0.890639 0.5 0.805711 ] [ 0.890681 0 0.807377 ] [ 0.86076 0.750092 0.442453 ] [ 0.86076 0.249908 0.442453 ] [ 0.920405 0 0.113735 ] [ 0.915037 0.5 0.109248 ] [ 0.558238 0.749922 0.420192 ] [ 0.558238 0.250078 0.420192 ] [ 0.580798 0.746097 0.140793 ] [ 0.580798 0.253903 0.140793 ] [ 0.526693 0.746678 0.779088 ] [ 0.526693 0.253322 0.779088 ] [ 0.196511 0 0.083592 ] [ 0.194167 0.5 0.084794 ] [ 0.218402 0.749615 0.745382 ] [ 0.218402 0.250385 0.745382 ] [ 0.253185 0.250028 0.471515 ] [ 0.253185 0.749972 0.471515 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Fe" "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" 8.23582966 "source-unit" "angstrom" } "b" { "source-value" 6.28056664 "source-unit" "angstrom" } "c" { "source-value" 8.24281404 "source-unit" "angstrom" } "beta" { "source-value" 119.92230595 "source-unit" "degree" } }