{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.737161 0.256475 0.281792 ] [ 0.262839 0.756475 0.718208 ] [ 0.730102 0.969982 0.74487 ] [ 0.269898 0.469982 0.25513 ] [ 0.030277 0.363387 0.594185 ] [ 0.939679 0.569183 0.910874 ] [ 0.57842 0.748073 0.412475 ] [ 0.570662 0.399012 0.936615 ] [ 0.429338 0.899012 0.063385 ] [ 0.42158 0.248073 0.587525 ] [ 0.060321 0.069183 0.089126 ] [ 0.969723 0.863387 0.405815 ] [ 0.983724 0.930918 0.202648 ] [ 0.03812 0.551259 0.106964 ] [ 0.877611 0.977188 0.525248 ] [ 0.955396 0.708809 0.807451 ] [ 0.80312 0.737037 0.363096 ] [ 0.840865 0.297693 0.525864 ] [ 0.707563 0.539771 0.924322 ] [ 0.675004 0.270094 0.021374 ] [ 0.569536 0.796337 0.613871 ] [ 0.493455 0.878982 0.282904 ] [ 0.612021 0.947343 0.976963 ] [ 0.482105 0.605167 0.357884 ] [ 0.517895 0.105167 0.642116 ] [ 0.387979 0.447343 0.023037 ] [ 0.506545 0.378982 0.717096 ] [ 0.430464 0.296337 0.386129 ] [ 0.324996 0.770094 0.978626 ] [ 0.292437 0.039771 0.075678 ] [ 0.159135 0.797693 0.474136 ] [ 0.19688 0.237037 0.636904 ] [ 0.044604 0.208809 0.192549 ] [ 0.122389 0.477188 0.474752 ] [ 0.96188 0.051259 0.893036 ] [ 0.016276 0.430918 0.797352 ] ] } "species" { "source-value" [ "Li" "Li" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.84593559 "source-unit" "angstrom" } "b" { "source-value" 9.17080497 "source-unit" "angstrom" } "c" { "source-value" 7.1951471 "source-unit" "angstrom" } "beta" { "source-value" 95.02666819 "source-unit" "degree" } }