{ "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" [ [ 0.000034 0.249145 0.000421 ] [ 0.000034 0.750855 0.000421 ] [ 0.75009 0.750624 0.500089 ] [ 0.75009 0.249376 0.500089 ] [ 0.499855 0.249574 0.999781 ] [ 0.499855 0.750426 0.999781 ] [ 0.249958 0.249352 0.500072 ] [ 0.249958 0.750648 0.500072 ] [ 0.987391 0.5 0.718575 ] [ 0.762369 0.5 0.218522 ] [ 0.737537 0 0.781175 ] [ 0.262688 0.5 0.218485 ] [ 0.513508 0 0.281661 ] [ 0.486043 0.5 0.718458 ] [ 0.236865 0 0.782003 ] [ 0.013587 0 0.281663 ] [ 0.957916 0 0.592264 ] [ 0.794179 0 0.094505 ] [ 0.704798 0.5 0.906272 ] [ 0.541671 0.5 0.407733 ] [ 0.456548 0 0.593287 ] [ 0.293992 0 0.093634 ] [ 0.208513 0.5 0.906192 ] [ 0.042281 0.5 0.406805 ] [ 0.89671 0 0.454727 ] [ 0.890203 0.20139 0.661659 ] [ 0.890203 0.79861 0.661659 ] [ 0.881034 0.5 0.404822 ] [ 0.866542 0.5 0.903645 ] [ 0.862037 0.201328 0.163611 ] [ 0.862037 0.798672 0.163611 ] [ 0.854898 0 0.956742 ] [ 0.644387 0.5 0.043603 ] [ 0.638044 0.7011 0.836374 ] [ 0.638044 0.2989 0.836374 ] [ 0.633017 0 0.097537 ] [ 0.618041 0 0.595775 ] [ 0.607162 0.70262 0.337273 ] [ 0.607162 0.29738 0.337273 ] [ 0.604307 0.5 0.544588 ] [ 0.39512 0 0.4562 ] [ 0.390866 0.202342 0.663849 ] [ 0.390866 0.797658 0.663849 ] [ 0.380706 0.5 0.40459 ] [ 0.369336 0.5 0.903645 ] [ 0.362014 0.200997 0.162926 ] [ 0.362014 0.799003 0.162926 ] [ 0.353471 0 0.95545 ] [ 0.144967 0.5 0.042512 ] [ 0.142547 0.703001 0.836242 ] [ 0.142547 0.296999 0.836242 ] [ 0.13255 0 0.097503 ] [ 0.118842 0 0.597007 ] [ 0.107252 0.702702 0.336404 ] [ 0.107252 0.297298 0.336404 ] [ 0.106064 0.5 0.54301 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 9.54164462 "source-unit" "angstrom" } "b" { "source-value" 6.13058716 "source-unit" "angstrom" } "c" { "source-value" 10.50547528 "source-unit" "angstrom" } "beta" { "source-value" 90.06807258 "source-unit" "degree" } }