{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.805233 0.152871 0.99272 ] [ 0.194767 0.652871 0.50728 ] [ 0.805233 0.347129 0.49272 ] [ 0.194767 0.847129 0.00728 ] [ 0.305107 0.165674 0.49101 ] [ 0.694893 0.665674 0.00899 ] [ 0.305107 0.334326 0.99101 ] [ 0.694893 0.834326 0.50899 ] [ 0.047175 0.408451 0.235704 ] [ 0.952825 0.908451 0.264296 ] [ 0.047175 0.091549 0.735704 ] [ 0.952825 0.591549 0.764296 ] [ 0.643883 0.616272 0.774762 ] [ 0.2778 0.83604 0.456598 ] [ 0.865839 0.83737 0.063048 ] [ 0.018506 0.063233 0.259637 ] [ 0.981494 0.563233 0.240363 ] [ 0.134161 0.33737 0.436952 ] [ 0.7222 0.33604 0.043402 ] [ 0.356117 0.116272 0.725238 ] [ 0.643883 0.883728 0.274762 ] [ 0.2778 0.66396 0.956598 ] [ 0.865839 0.66263 0.563048 ] [ 0.018506 0.436767 0.759637 ] [ 0.981494 0.936767 0.740363 ] [ 0.134161 0.16263 0.936952 ] [ 0.7222 0.16396 0.543402 ] [ 0.356117 0.383728 0.225238 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 5.1142487 "source-unit" "angstrom" } "b" { "source-value" 10.34517866 "source-unit" "angstrom" } "c" { "source-value" 8.43728302 "source-unit" "angstrom" } "beta" { "source-value" 126.66872134 "source-unit" "degree" } }