{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.800903 0.5 0.899184 ] [ 0.599993 0 0.80012 ] [ 0.400165 0.5 0.700686 ] [ 0.198306 0 0.601218 ] [ 0.999422 0.5 0.500733 ] [ 0.798898 0 0.400558 ] [ 0.599522 0.5 0.300396 ] [ 0.400078 0 0.199739 ] [ 0.200113 0.5 0.099112 ] [ 0.001935 0 0.998265 ] [ 0.501455 0 0.502157 ] [ 0.106082 0 0.303686 ] [ 0.899679 0.5 0.199582 ] [ 0.693731 0 0.095416 ] [ 0.299178 0 0.898103 ] [ 0.0995 0.5 0.799611 ] [ 0.900125 0 0.700565 ] [ 0.70168 0.5 0.601601 ] [ 0.30376 0.5 0.403218 ] [ 0.495074 0.5 0.996071 ] [ 0.617241 0 0.949546 ] [ 0.179473 0.5 0.945106 ] [ 0.979592 0 0.847112 ] [ 0.419873 0.5 0.851016 ] [ 0.219486 0 0.752249 ] [ 0.780375 0.5 0.748062 ] [ 0.581293 0 0.648833 ] [ 0.824959 0 0.554263 ] [ 0.019816 0.5 0.653107 ] [ 0.379096 0.5 0.550359 ] [ 0.622114 0.5 0.453912 ] [ 0.17919 0 0.449623 ] [ 0.435204 0 0.356791 ] [ 0.972276 0.5 0.353682 ] [ 0.763609 0 0.250388 ] [ 0.239335 0.5 0.252209 ] [ 0.035809 0 0.14884 ] [ 0.560468 0.5 0.14689 ] [ 0.82772 0.5 0.045459 ] [ 0.363474 0 0.042533 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "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" 5.04628857 "source-unit" "angstrom" } "b" { "source-value" 2.87435769 "source-unit" "angstrom" } "c" { "source-value" 23.54650143 "source-unit" "angstrom" } "beta" { "source-value" 94.41143614 "source-unit" "degree" } }