{ "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" [ [ 0.831254 0.5 0.665092 ] [ 0 0 0 ] [ 0.168746 0.5 0.334908 ] [ 0.331254 0 0.665092 ] [ 0.5 0.5 0 ] [ 0.668746 0 0.334908 ] [ 0.16295 0.5 0.820596 ] [ 0.83705 0.5 0.179404 ] [ 0.66295 0 0.820596 ] [ 0.33705 0 0.179404 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.75 0 ] [ 0.818133 0 0.678277 ] [ 0.181867 0 0.321723 ] [ 0.75 0.75 0 ] [ 0.079275 0.248895 0.670386 ] [ 0.920725 0.248895 0.329614 ] [ 0.920725 0.751105 0.329614 ] [ 0.079275 0.751105 0.670386 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.318133 0.5 0.678277 ] [ 0.681867 0.5 0.321723 ] [ 0.25 0.25 0 ] [ 0.579275 0.748895 0.670386 ] [ 0.420725 0.748895 0.329614 ] [ 0.420725 0.251105 0.329614 ] [ 0.579275 0.251105 0.670386 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Nb" "Nb" "Nb" "Nb" "Co" "Co" "O" "O" "O" "O" "O" "O" "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" 10.2734575653 "source-unit" "angstrom" } "b" { "source-value" 5.74523099038 "source-unit" "angstrom" } "c" { "source-value" 7.17545059359 "source-unit" "angstrom" } "beta" { "source-value" 92.8078920826 "source-unit" "degree" } }