{ "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" [ [ 0.087517 0.848604 0.582252 ] [ 0.087517 0.651396 0.082252 ] [ 0.912483 0.348604 0.917748 ] [ 0.912483 0.151396 0.417748 ] [ 0.405597 0.106057 0.71318 ] [ 0.594403 0.606057 0.78682 ] [ 0.405597 0.393943 0.21318 ] [ 0.594403 0.893943 0.28682 ] [ 0.103663 0.026197 0.819998 ] [ 0.263356 0.529531 0.859159 ] [ 0.103663 0.473803 0.319998 ] [ 0.326452 0.386563 0.634557 ] [ 0.263356 0.970469 0.359159 ] [ 0.673548 0.886563 0.865443 ] [ 0.326452 0.113437 0.134557 ] [ 0.736644 0.029531 0.640841 ] [ 0.673548 0.613437 0.365443 ] [ 0.896337 0.526197 0.680002 ] [ 0.736644 0.470469 0.140841 ] [ 0.896337 0.973803 0.180002 ] [ 0.346935 0.848061 0.983277 ] [ 0.55539 0.269232 0.971753 ] [ 0.346935 0.651939 0.483277 ] [ 0.44461 0.769232 0.528247 ] [ 0.55539 0.230768 0.471753 ] [ 0.653065 0.348061 0.516723 ] [ 0.44461 0.730768 0.028247 ] [ 0.653065 0.151939 0.016723 ] [ 0.092137 0.899737 0.773094 ] [ 0.086373 0.58424 0.727442 ] [ 0.235603 0.509337 0.003082 ] [ 0.195742 0.11073 0.762887 ] [ 0.281549 0.40712 0.783535 ] [ 0.177701 0.468962 0.506507 ] [ 0.092137 0.600263 0.273094 ] [ 0.407585 0.61086 0.872893 ] [ 0.086373 0.91576 0.227442 ] [ 0.235603 0.990663 0.503082 ] [ 0.28812 0.261919 0.58605 ] [ 0.195742 0.38927 0.262887 ] [ 0.592979 0.203434 0.926853 ] [ 0.500149 0.938905 0.829608 ] [ 0.499851 0.438905 0.670392 ] [ 0.281549 0.09288 0.283535 ] [ 0.407021 0.703434 0.573147 ] [ 0.177701 0.031038 0.006507 ] [ 0.407585 0.88914 0.372893 ] [ 0.71188 0.761919 0.91395 ] [ 0.28812 0.238081 0.08605 ] [ 0.592415 0.11086 0.627107 ] [ 0.822299 0.968962 0.993493 ] [ 0.592979 0.296566 0.426853 ] [ 0.718451 0.90712 0.716465 ] [ 0.500149 0.561095 0.329608 ] [ 0.499851 0.061095 0.170392 ] [ 0.407021 0.796566 0.073147 ] [ 0.804258 0.61073 0.737113 ] [ 0.71188 0.738081 0.41395 ] [ 0.764397 0.009337 0.496918 ] [ 0.913627 0.08424 0.772558 ] [ 0.592415 0.38914 0.127107 ] [ 0.907863 0.399737 0.726906 ] [ 0.822299 0.531038 0.493493 ] [ 0.718451 0.59288 0.216465 ] [ 0.804258 0.88927 0.237113 ] [ 0.764397 0.490663 0.996918 ] [ 0.913627 0.41576 0.272558 ] [ 0.907863 0.100263 0.226906 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" "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" 8.59667554 "source-unit" "angstrom" } "b" { "source-value" 11.43260313 "source-unit" "angstrom" } "c" { "source-value" 9.51783202 "source-unit" "angstrom" } "beta" { "source-value" 115.81500808 "source-unit" "degree" } }