{ "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" [ [ 0.85041 0.755936 0.146113 ] [ 0.35041 0.744064 0.146113 ] [ 0.64959 0.255936 0.853887 ] [ 0.14959 0.244064 0.853887 ] [ 0.692628 0.249781 0.322764 ] [ 0.192628 0.250219 0.322764 ] [ 0.807372 0.749781 0.677236 ] [ 0.307372 0.750219 0.677236 ] [ 0.694302 0.430962 0.097179 ] [ 0.194302 0.069038 0.097179 ] [ 0.600735 0.939039 0.191957 ] [ 0.942003 0.097472 0.315498 ] [ 0.100735 0.560961 0.191957 ] [ 0.442003 0.402528 0.315498 ] [ 0.806477 0.579168 0.440916 ] [ 0.306477 0.920832 0.440916 ] [ 0.693523 0.079168 0.559084 ] [ 0.193523 0.420832 0.559084 ] [ 0.557997 0.597472 0.684502 ] [ 0.899265 0.439039 0.808043 ] [ 0.057997 0.902528 0.684502 ] [ 0.399265 0.060961 0.808043 ] [ 0.805698 0.930962 0.902821 ] [ 0.305698 0.569038 0.902821 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "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" 7.19594319 "source-unit" "angstrom" } "b" { "source-value" 4.99912152 "source-unit" "angstrom" } "c" { "source-value" 7.37068062 "source-unit" "angstrom" } "beta" { "source-value" 101.15426866 "source-unit" "degree" } }