{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.057391 0.251901 0.132939 ] [ 0.057391 0.748099 0.632939 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0 ] [ 0.942609 0.251901 0.367061 ] [ 0.942609 0.748099 0.867061 ] [ 0.557391 0.751901 0.132939 ] [ 0.557391 0.248099 0.632939 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0 ] [ 0.442609 0.751901 0.367061 ] [ 0.442609 0.248099 0.867061 ] [ 0.166864 0.746518 0.345063 ] [ 0.166864 0.253482 0.845063 ] [ 0.833136 0.746518 0.154937 ] [ 0.833136 0.253482 0.654937 ] [ 0.666864 0.246518 0.345063 ] [ 0.666864 0.753482 0.845063 ] [ 0.333136 0.246518 0.154937 ] [ 0.333136 0.753482 0.654937 ] [ 0.15846 0.42778 0.030968 ] [ 0.203958 0.967478 0.178371 ] [ 0.0927 0.073225 0.397597 ] [ 0.15846 0.57222 0.530968 ] [ 0.203958 0.032522 0.678371 ] [ 0.0927 0.926775 0.897597 ] [ 0.9073 0.073225 0.102403 ] [ 0.796042 0.967478 0.321629 ] [ 0.84154 0.42778 0.469032 ] [ 0.9073 0.926775 0.602403 ] [ 0 0.533133 0.25 ] [ 0.796042 0.032522 0.821629 ] [ 0.84154 0.57222 0.969032 ] [ 0 0.466867 0.75 ] [ 0.65846 0.92778 0.030968 ] [ 0.703958 0.467478 0.178371 ] [ 0.5927 0.573225 0.397597 ] [ 0.65846 0.07222 0.530968 ] [ 0.703958 0.532522 0.678371 ] [ 0.5927 0.426775 0.897597 ] [ 0.4073 0.573225 0.102403 ] [ 0.296042 0.467478 0.321629 ] [ 0.34154 0.92778 0.469032 ] [ 0.4073 0.426775 0.602403 ] [ 0.5 0.033133 0.25 ] [ 0.296042 0.532522 0.821629 ] [ 0.34154 0.07222 0.969032 ] [ 0.5 0.966867 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 10.70401256 "source-unit" "angstrom" } "b" { "source-value" 5.12944002 "source-unit" "angstrom" } "c" { "source-value" 10.33745424 "source-unit" "angstrom" } "beta" { "source-value" 100.97260042 "source-unit" "degree" } }