{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.65564 0.329232 0.056009 ] [ 0.34436 0.670768 0.943991 ] [ 0.345613 0.602211 0.59049 ] [ 0.299108 0.031562 0.711996 ] [ 0.035092 0.279907 0.939497 ] [ 0.964908 0.720093 0.060503 ] [ 0.700892 0.968438 0.288004 ] [ 0.654387 0.397789 0.40951 ] [ 0.691172 0.961451 0.940496 ] [ 0.612555 0.361693 0.725919 ] [ 0.941936 0.695923 0.379326 ] [ 0.058064 0.304077 0.620674 ] [ 0.387445 0.638307 0.274081 ] [ 0.308828 0.038549 0.059504 ] [ 0.527003 0.88956 0.772777 ] [ 0.382537 0.519528 0.360888 ] [ 0.839477 0.138636 0.02176 ] [ 0.322016 0.157002 0.975165 ] [ 0.765724 0.430731 0.893992 ] [ 0.107505 0.749239 0.541058 ] [ 0.466418 0.183238 0.637758 ] [ 0.791137 0.516422 0.287654 ] [ 0.946458 0.827187 0.308526 ] [ 0.053542 0.172813 0.691474 ] [ 0.208863 0.483578 0.712346 ] [ 0.533582 0.816762 0.362242 ] [ 0.892495 0.250761 0.458942 ] [ 0.234276 0.569269 0.106008 ] [ 0.677984 0.842998 0.024835 ] [ 0.160523 0.861364 0.97824 ] [ 0.617463 0.480472 0.639112 ] [ 0.472997 0.11044 0.227223 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 6.17377699 "source-unit" "angstrom" } "b" { "source-value" 7.76735078 "source-unit" "angstrom" } "c" { "source-value" 9.09388487 "source-unit" "angstrom" } "alpha" { "source-value" 111.83259603 "source-unit" "degree" } "beta" { "source-value" 107.41869087 "source-unit" "degree" } "gamma" { "source-value" 96.50833636 "source-unit" "degree" } }