{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.754055 0.351278 ] [ 0.25 0.245945 0.648722 ] [ 0.75 0.254055 0.148722 ] [ 0.25 0.745945 0.851278 ] [ 0.75 0.420804 0.890066 ] [ 0.25 0.579196 0.109934 ] [ 0.75 0.920804 0.609934 ] [ 0.25 0.079196 0.390066 ] [ 0.75 0.425346 0.386126 ] [ 0.25 0.574654 0.613874 ] [ 0.75 0.925346 0.113874 ] [ 0.25 0.074654 0.886126 ] [ 0.75 0.210257 0.820471 ] [ 0.25 0.789743 0.179529 ] [ 0.75 0.710257 0.679529 ] [ 0.25 0.289743 0.320471 ] [ 0.75 0.128098 0.522865 ] [ 0.25 0.871902 0.477135 ] [ 0.75 0.628098 0.977135 ] [ 0.25 0.371902 0.022865 ] [ 0.75 0.517393 0.215776 ] [ 0.25 0.482607 0.784224 ] [ 0.75 0.017393 0.284224 ] [ 0.25 0.982607 0.715776 ] [ 0.75 0.42115 0.57792 ] [ 0.25 0.57885 0.42208 ] [ 0.75 0.92115 0.92208 ] [ 0.25 0.07885 0.07792 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "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" 3.29406424 "source-unit" "angstrom" } "b" { "source-value" 9.78229906 "source-unit" "angstrom" } "c" { "source-value" 11.57723487 "source-unit" "angstrom" } }