{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.764006 0.258157 0.908912 ] [ 0.243729 0.072161 0.729248 ] [ 0.756271 0.572161 0.270752 ] [ 0.235994 0.758157 0.091088 ] [ 0.787982 0.736683 0.669736 ] [ 0.212018 0.236683 0.330264 ] [ 0.716221 0.243739 0.596772 ] [ 0.283779 0.743739 0.403228 ] [ 0.686466 0.74905 0.9702 ] [ 0.313534 0.24905 0.0298 ] [ 0.93369 0.744508 0.940656 ] [ 0.380068 0.213771 0.899619 ] [ 0.504244 0.787353 0.859359 ] [ 0.859504 0.072403 0.678971 ] [ 0.783655 0.41174 0.705874 ] [ 0.205577 0.776633 0.563266 ] [ 0.411724 0.205789 0.578387 ] [ 0.588276 0.705789 0.421613 ] [ 0.794423 0.276633 0.436734 ] [ 0.216345 0.91174 0.294126 ] [ 0.140496 0.572403 0.321029 ] [ 0.495756 0.287353 0.140641 ] [ 0.619932 0.713771 0.100381 ] [ 0.06631 0.244508 0.059344 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "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" 5.08395803 "source-unit" "angstrom" } "b" { "source-value" 7.11007921 "source-unit" "angstrom" } "c" { "source-value" 8.9903582 "source-unit" "angstrom" } "beta" { "source-value" 96.30665564 "source-unit" "degree" } }