{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.327496 0.25 ] [ 0.5 0.672504 0.75 ] [ 0 0.813664 0.25 ] [ 0 0.186336 0.75 ] [ 0.232084 0.026899 0.102045 ] [ 0.251444 0.546022 0.372554 ] [ 0.232084 0.973101 0.602045 ] [ 0.251444 0.453978 0.872554 ] [ 0.748556 0.546022 0.127446 ] [ 0.767916 0.026899 0.397955 ] [ 0.748556 0.453978 0.627446 ] [ 0.767916 0.973101 0.897955 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "F" "F" "F" "F" "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" 5.20941913 "source-unit" "angstrom" } "b" { "source-value" 5.07091361 "source-unit" "angstrom" } "c" { "source-value" 5.55805447 "source-unit" "angstrom" } "beta" { "source-value" 104.29067061 "source-unit" "degree" } }