{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.888799 0.922745 0.963259 ] [ 0.888799 0.077255 0.463259 ] [ 0.388799 0.422745 0.963259 ] [ 0.388799 0.577255 0.463259 ] [ 0.453025 0.202558 0.296258 ] [ 0.453025 0.797442 0.796258 ] [ 0.953025 0.702558 0.296258 ] [ 0.953025 0.297442 0.796258 ] [ 0.478036 0.15629 0.705396 ] [ 0.478036 0.84371 0.205396 ] [ 0.978036 0.65629 0.705396 ] [ 0.978036 0.34371 0.205396 ] [ 0.176212 0.148376 0.687422 ] [ 0.593635 0.192811 0.54044 ] [ 0.067951 0.785377 0.825033 ] [ 0.600073 0.008562 0.773591 ] [ 0.176212 0.851624 0.187422 ] [ 0.593635 0.807189 0.04044 ] [ 0.067951 0.214623 0.325033 ] [ 0.600073 0.991438 0.273591 ] [ 0.676212 0.648376 0.687422 ] [ 0.093635 0.692811 0.54044 ] [ 0.567951 0.285377 0.825033 ] [ 0.100073 0.508562 0.773591 ] [ 0.676212 0.351624 0.187422 ] [ 0.093635 0.307189 0.04044 ] [ 0.567951 0.714623 0.325033 ] [ 0.100073 0.491438 0.273591 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "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" 5.14273642 "source-unit" "angstrom" } "b" { "source-value" 8.93646312 "source-unit" "angstrom" } "c" { "source-value" 8.20332368 "source-unit" "angstrom" } "beta" { "source-value" 94.55738369 "source-unit" "degree" } }