{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.220191 0.439328 0.218519 ] [ 0.220191 0.060672 0.218519 ] [ 0.779809 0.560672 0.781481 ] [ 0.779809 0.939328 0.781481 ] [ 0.795412 0.75 0.348599 ] [ 0.204588 0.25 0.651401 ] [ 0.737149 0.25 0.387562 ] [ 0.262851 0.75 0.612438 ] [ 0.739785 0.75 0.066675 ] [ 0.260215 0.25 0.933325 ] [ 0.256034 0.25 0.067227 ] [ 0.960366 0.75 0.149444 ] [ 0.533935 0.75 0.13766 ] [ 0.884345 0.056281 0.311739 ] [ 0.884345 0.443719 0.311739 ] [ 0.194706 0.75 0.427346 ] [ 0.415835 0.25 0.353218 ] [ 0.584165 0.75 0.646782 ] [ 0.805294 0.25 0.572654 ] [ 0.115655 0.556281 0.688261 ] [ 0.115655 0.943719 0.688261 ] [ 0.466065 0.25 0.86234 ] [ 0.039634 0.25 0.850556 ] [ 0.743966 0.75 0.932773 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sb" "Sb" "As" "As" "C" "C" "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" 5.23751477 "source-unit" "angstrom" } "b" { "source-value" 6.97704468 "source-unit" "angstrom" } "c" { "source-value" 9.37014878 "source-unit" "angstrom" } "beta" { "source-value" 93.61764786 "source-unit" "degree" } }