{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.851951 0.781667 0.641001 ] [ 0.326173 0.819152 0.1422 ] [ 0.148049 0.218333 0.358999 ] [ 0.148049 0.281667 0.858999 ] [ 0.851951 0.718333 0.141001 ] [ 0.673827 0.180848 0.8578 ] [ 0.326173 0.680848 0.6422 ] [ 0.673827 0.319152 0.3578 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "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" 5.53378314304 "source-unit" "angstrom" } "b" { "source-value" 4.73684255 "source-unit" "angstrom" } "c" { "source-value" 5.82388550419 "source-unit" "angstrom" } "beta" { "source-value" 113.470156259 "source-unit" "degree" } }