{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.164294 0 0.334296 ] [ 0.335706 0.5 0.665704 ] [ 0.5 0 0 ] [ 0.664294 0.5 0.334296 ] [ 0.835706 0 0.665704 ] [ 0.166876 0 0.82785 ] [ 0.333124 0.5 0.17215 ] [ 0.666876 0.5 0.82785 ] [ 0.833124 0 0.17215 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.164601 0.5 0.596983 ] [ 0.33022 0 0.93054 ] [ 0.335399 0 0.403017 ] [ 0.995457 0 0.266195 ] [ 0.004543 0 0.733805 ] [ 0.16978 0.5 0.06946 ] [ 0.664601 0 0.596983 ] [ 0.83022 0.5 0.93054 ] [ 0.835399 0.5 0.403017 ] [ 0.495457 0.5 0.266195 ] [ 0.504543 0.5 0.733805 ] [ 0.66978 0 0.06946 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Ni" "Ni" "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" 13.14037308 "source-unit" "angstrom" } "b" { "source-value" 2.92445296 "source-unit" "angstrom" } "c" { "source-value" 5.90171695 "source-unit" "angstrom" } "beta" { "source-value" 103.34996141 "source-unit" "degree" } }