{ "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 0.25663 0.25 ] [ 0.5 0.24337 0.75 ] [ 0.5 0.75663 0.25 ] [ 0 0.74337 0.75 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0 ] [ 0.219244 0.947635 0.179871 ] [ 0.280756 0.447635 0.320129 ] [ 0.280756 0.552365 0.820129 ] [ 0.219244 0.052365 0.679871 ] [ 0 0.318876 0.75 ] [ 0.5 0.181124 0.25 ] [ 0.719244 0.447635 0.179871 ] [ 0.780756 0.947635 0.320129 ] [ 0.780756 0.052365 0.820129 ] [ 0.719244 0.552365 0.679871 ] [ 0.5 0.818876 0.75 ] [ 0 0.681124 0.25 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Mn" "Mn" "Mn" "Mn" "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" 9.58642446381 "source-unit" "angstrom" } "b" { "source-value" 5.71343550068 "source-unit" "angstrom" } "c" { "source-value" 5.53913651314 "source-unit" "angstrom" } "beta" { "source-value" 124.504589571 "source-unit" "degree" } }