{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.903466 0.753753 0.381505 ] [ 0.903466 0.746247 0.881505 ] [ 0.725317 0.965675 0.12561 ] [ 0.725317 0.534325 0.62561 ] [ 0.274683 0.465675 0.37439 ] [ 0.274683 0.034325 0.87439 ] [ 0.096534 0.253753 0.118495 ] [ 0.096534 0.246247 0.618495 ] [ 0.670135 0.242182 0.399873 ] [ 0.670135 0.257818 0.899873 ] [ 0.329865 0.742182 0.100127 ] [ 0.329865 0.757818 0.600127 ] [ 0.579644 0.745118 0.360725 ] [ 0.579644 0.754882 0.860725 ] [ 0.420356 0.245118 0.139275 ] [ 0.420356 0.254882 0.639275 ] [ 0.960092 0.255447 0.351007 ] [ 0.960092 0.244553 0.851007 ] [ 0.039908 0.755447 0.148993 ] [ 0.039908 0.744553 0.648993 ] [ 0.923087 0.259788 0.474152 ] [ 0.897813 0.780003 0.183759 ] [ 0.923087 0.240212 0.974152 ] [ 0.8377 0.226248 0.263262 ] [ 0.897813 0.719997 0.683759 ] [ 0.8377 0.273752 0.763262 ] [ 0.681884 0.936509 0.403561 ] [ 0.695629 0.562959 0.40177 ] [ 0.695629 0.937041 0.90177 ] [ 0.681884 0.563491 0.903561 ] [ 0.579918 0.222507 0.072917 ] [ 0.538833 0.757632 0.208539 ] [ 0.579918 0.277493 0.572917 ] [ 0.538833 0.742368 0.708539 ] [ 0.461167 0.257632 0.291461 ] [ 0.420082 0.722507 0.427083 ] [ 0.461167 0.242368 0.791461 ] [ 0.420082 0.777493 0.927083 ] [ 0.318116 0.436509 0.096439 ] [ 0.304371 0.062959 0.09823 ] [ 0.304371 0.437041 0.59823 ] [ 0.318116 0.063491 0.596439 ] [ 0.1623 0.726248 0.236738 ] [ 0.102187 0.280003 0.316241 ] [ 0.1623 0.773752 0.736738 ] [ 0.076913 0.759788 0.025848 ] [ 0.102187 0.219997 0.816241 ] [ 0.076913 0.740212 0.525848 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "C" "C" "C" "C" "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" 8.3204211 "source-unit" "angstrom" } "b" { "source-value" 6.48879721 "source-unit" "angstrom" } "c" { "source-value" 10.16794998 "source-unit" "angstrom" } "beta" { "source-value" 94.73127145 "source-unit" "degree" } }