{ "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" [ [ 0.0522 0.937694 0.934212 ] [ 0.9478 0.437694 0.065788 ] [ 0.743291 0.999593 0.271764 ] [ 0.256709 0.499593 0.728236 ] [ 0.011931 0.735138 0.366457 ] [ 0.988069 0.235138 0.633543 ] [ 0.529261 0.762996 0.887157 ] [ 0.470739 0.262996 0.112843 ] [ 0.122699 0.868379 0.311132 ] [ 0.135725 0.586409 0.411805 ] [ 0.237693 0.254585 0.630997 ] [ 0.762307 0.754585 0.369003 ] [ 0.864275 0.086409 0.588195 ] [ 0.877301 0.368379 0.688868 ] [ 0.64421 0.619691 0.859762 ] [ 0.667326 0.903768 0.946277 ] [ 0.737899 0.253844 0.1541 ] [ 0.262101 0.753844 0.8459 ] [ 0.332674 0.403768 0.053723 ] [ 0.35579 0.119691 0.140238 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "C" "C" "C" "C" "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" 5.17168521 "source-unit" "angstrom" } "b" { "source-value" 7.77864357 "source-unit" "angstrom" } "c" { "source-value" 6.38064465 "source-unit" "angstrom" } "beta" { "source-value" 111.7120539 "source-unit" "degree" } }