{ "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" [ [ 0.798831 0.520822 0.202438 ] [ 0.798831 0.979178 0.202438 ] [ 0.201169 0.479178 0.797562 ] [ 0.201169 0.020822 0.797562 ] [ 0.254724 0.25 0.362682 ] [ 0.745276 0.75 0.637318 ] [ 0.276326 0.75 0.407493 ] [ 0.723674 0.25 0.592507 ] [ 0.260053 0.25 0.059854 ] [ 0.739947 0.75 0.940146 ] [ 0.723842 0.75 0.07984 ] [ 0.02606 0.25 0.123181 ] [ 0.478914 0.25 0.150005 ] [ 0.138813 0.934219 0.337872 ] [ 0.138813 0.565781 0.337872 ] [ 0.754948 0.25 0.420379 ] [ 0.588883 0.75 0.390872 ] [ 0.411117 0.25 0.609128 ] [ 0.245052 0.75 0.579621 ] [ 0.861187 0.434219 0.662128 ] [ 0.861187 0.065781 0.662128 ] [ 0.521086 0.75 0.849995 ] [ 0.97394 0.75 0.876819 ] [ 0.276158 0.25 0.92016 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Y" "Y" "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" 4.91531415 "source-unit" "angstrom" } "b" { "source-value" 6.80625427 "source-unit" "angstrom" } "c" { "source-value" 9.08642008 "source-unit" "angstrom" } "beta" { "source-value" 93.09209428 "source-unit" "degree" } }