{ "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 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.484239 0.75 0.216779 ] [ 0.515761 0.25 0.783221 ] [ 0.966888 0.25 0.281549 ] [ 0.033112 0.75 0.718451 ] [ 0.421346 0.25 0.09776 ] [ 0.926967 0.75 0.405486 ] [ 0.073033 0.25 0.594514 ] [ 0.578654 0.75 0.90224 ] [ 0.703929 0.75 0.045144 ] [ 0.74711 0.25 0.100724 ] [ 0.291762 0.043084 0.166501 ] [ 0.291762 0.456916 0.166501 ] [ 0.782797 0.547748 0.33384 ] [ 0.782797 0.952252 0.33384 ] [ 0.248588 0.75 0.401552 ] [ 0.189647 0.25 0.451936 ] [ 0.810353 0.75 0.548064 ] [ 0.751412 0.25 0.598448 ] [ 0.217203 0.047748 0.66616 ] [ 0.217203 0.452252 0.66616 ] [ 0.708238 0.543084 0.833499 ] [ 0.708238 0.956916 0.833499 ] [ 0.25289 0.75 0.899276 ] [ 0.296071 0.25 0.954856 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Cu" "Cu" "P" "P" "P" "P" "O" "O" "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" 4.75312336 "source-unit" "angstrom" } "b" { "source-value" 6.03616997 "source-unit" "angstrom" } "c" { "source-value" 10.16127373 "source-unit" "angstrom" } "beta" { "source-value" 91.39844839 "source-unit" "degree" } }