{ "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 0.358292 0.75 ] [ 0.5 0.641708 0.25 ] [ 0 0.834534 0.75 ] [ 0 0.165466 0.25 ] [ 0.219094 0.108841 0.93068 ] [ 0.219094 0.891159 0.43068 ] [ 0.261986 0.62359 0.910454 ] [ 0.261986 0.37641 0.410454 ] [ 0.738014 0.62359 0.589546 ] [ 0.738014 0.37641 0.089546 ] [ 0.780906 0.108841 0.56932 ] [ 0.780906 0.891159 0.06932 ] ] } "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" 4.70895065 "source-unit" "angstrom" } "b" { "source-value" 5.68728592 "source-unit" "angstrom" } "c" { "source-value" 5.07055109 "source-unit" "angstrom" } "beta" { "source-value" 92.49704087 "source-unit" "degree" } }