{ "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 0 ] [ 0.5 0.5 0 ] [ 0 0.324476 0.5 ] [ 0 0.675524 0.5 ] [ 0.5 0.824476 0.5 ] [ 0.5 0.175524 0.5 ] [ 0 0.73655 0 ] [ 0 0.26345 0 ] [ 0.604956 0 0.769988 ] [ 0.187326 0.858029 0.560406 ] [ 0.812674 0.858029 0.439594 ] [ 0.812674 0.141971 0.439594 ] [ 0.187326 0.141971 0.560406 ] [ 0.395044 0 0.230012 ] [ 0.5 0.23655 0 ] [ 0.5 0.76345 0 ] [ 0.104956 0.5 0.769988 ] [ 0.687326 0.358029 0.560406 ] [ 0.312674 0.358029 0.439594 ] [ 0.312674 0.641971 0.439594 ] [ 0.687326 0.641971 0.560406 ] [ 0.895044 0.5 0.230012 ] ] } "species" { "source-value" [ "Ba" "Ba" "Tm" "Tm" "Tm" "Tm" "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" 6.96234906 "source-unit" "angstrom" } "b" { "source-value" 10.5054909 "source-unit" "angstrom" } "c" { "source-value" 4.27151883 "source-unit" "angstrom" } "beta" { "source-value" 98.97167546 "source-unit" "degree" } }