{ "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" [ [ 0.775693 0.015305 0.211212 ] [ 0.775693 0.484695 0.211212 ] [ 0.224307 0.515305 0.788788 ] [ 0.224307 0.984695 0.788788 ] [ 0.231717 0.25 0.354739 ] [ 0.768283 0.75 0.645261 ] [ 0.278193 0.25 0.059591 ] [ 0.721807 0.75 0.940409 ] [ 0.284039 0.75 0.418982 ] [ 0.715961 0.25 0.581018 ] [ 0.727318 0.75 0.090185 ] [ 0.055276 0.25 0.136719 ] [ 0.496732 0.25 0.148801 ] [ 0.184 0.932749 0.33024 ] [ 0.184 0.567251 0.33024 ] [ 0.807221 0.25 0.416585 ] [ 0.587363 0.75 0.42981 ] [ 0.412637 0.25 0.57019 ] [ 0.192779 0.75 0.583415 ] [ 0.816 0.432749 0.66976 ] [ 0.816 0.067251 0.66976 ] [ 0.503268 0.75 0.851199 ] [ 0.944724 0.75 0.863281 ] [ 0.272682 0.25 0.909815 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "C" "C" "S" "S" "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" 5.00279421 "source-unit" "angstrom" } "b" { "source-value" 6.50404352 "source-unit" "angstrom" } "c" { "source-value" 8.47538413 "source-unit" "angstrom" } "beta" { "source-value" 92.97588821 "source-unit" "degree" } }