{ "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" [ [ 0.993612 0.748532 0.256038 ] [ 0.022343 0.41567 0.227801 ] [ 0.022343 0.58433 0.727801 ] [ 0.993612 0.251468 0.756038 ] [ 0.493612 0.248532 0.256038 ] [ 0.522343 0.91567 0.227801 ] [ 0.522343 0.08433 0.727801 ] [ 0.493612 0.751468 0.756038 ] [ 0.966761 0.100892 0.253718 ] [ 0.966761 0.899108 0.753718 ] [ 0.466761 0.600892 0.253718 ] [ 0.466761 0.399108 0.753718 ] [ 0.776305 0.073838 0.500818 ] [ 0.776305 0.926162 0.000818 ] [ 0.250915 0.75629 0.996346 ] [ 0.250915 0.24371 0.496346 ] [ 0.276305 0.573838 0.500818 ] [ 0.276305 0.426162 0.000818 ] [ 0.750915 0.25629 0.996346 ] [ 0.750915 0.74371 0.496346 ] [ 0.240064 0.079775 0.01528 ] [ 0.240064 0.920225 0.51528 ] [ 0.740064 0.579775 0.01528 ] [ 0.740064 0.420225 0.51528 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.31532035 "source-unit" "angstrom" } "b" { "source-value" 8.77852056 "source-unit" "angstrom" } "c" { "source-value" 5.21672762 "source-unit" "angstrom" } "beta" { "source-value" 112.86490313 "source-unit" "degree" } }