{ "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" [ [ 0.262525 0.012989 0.011954 ] [ 0.737475 0.512989 0.488046 ] [ 0.262525 0.487011 0.511954 ] [ 0.737475 0.987011 0.988046 ] [ 0.260055 0.66468 0.194374 ] [ 0.739945 0.16468 0.305626 ] [ 0.260055 0.83532 0.694374 ] [ 0.739945 0.33532 0.805626 ] [ 0.108961 0.810036 0.081825 ] [ 0.502864 0.148612 0.260642 ] [ 0.497136 0.648612 0.239358 ] [ 0.835148 0.461611 0.746717 ] [ 0.891039 0.310036 0.418175 ] [ 0.164852 0.961611 0.753283 ] [ 0.835148 0.038389 0.246717 ] [ 0.108961 0.689964 0.581825 ] [ 0.164852 0.538389 0.253283 ] [ 0.502864 0.351388 0.760642 ] [ 0.497136 0.851388 0.739358 ] [ 0.891039 0.189964 0.918175 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "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" 6.21769577 "source-unit" "angstrom" } "b" { "source-value" 6.80415749 "source-unit" "angstrom" } "c" { "source-value" 8.25599186 "source-unit" "angstrom" } "beta" { "source-value" 126.8344747 "source-unit" "degree" } }