{ "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" [ [ 0.734164 0.97753 0.282907 ] [ 0.265836 0.02247 0.717093 ] [ 0.794297 0.25 0.891207 ] [ 0.205703 0.75 0.108793 ] [ 0.265836 0.47753 0.717093 ] [ 0.734164 0.52247 0.282907 ] [ 0.792481 0.75 0.680351 ] [ 0.207519 0.25 0.319649 ] [ 0.728503 0.25 0.588199 ] [ 0.271497 0.75 0.411801 ] [ 0.672761 0.75 0.968663 ] [ 0.327239 0.25 0.031337 ] [ 0.509957 0.25 0.153761 ] [ 0.922556 0.75 0.940416 ] [ 0.166499 0.75 0.572894 ] [ 0.490043 0.75 0.846239 ] [ 0.160656 0.566634 0.308582 ] [ 0.833501 0.25 0.427106 ] [ 0.160656 0.933366 0.308582 ] [ 0.839344 0.433366 0.691418 ] [ 0.839344 0.066634 0.691418 ] [ 0.413759 0.25 0.56791 ] [ 0.605733 0.75 0.108835 ] [ 0.394267 0.25 0.891165 ] [ 0.586241 0.75 0.43209 ] [ 0.077444 0.25 0.059584 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "P" "P" "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" 4.99370442878 "source-unit" "angstrom" } "b" { "source-value" 6.60226462 "source-unit" "angstrom" } "c" { "source-value" 8.62121833586 "source-unit" "angstrom" } "beta" { "source-value" 96.7294461383 "source-unit" "degree" } }