{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.149972 0.494414 0.405813 ] [ 0.149972 0.505586 0.905813 ] [ 0.080824 0.977775 0.320608 ] [ 0.443419 0.986157 0.682299 ] [ 0.25289 0.018232 0.494881 ] [ 0.25289 0.981768 0.994881 ] [ 0.443419 0.013843 0.182299 ] [ 0.080824 0.022225 0.820608 ] [ 0.917512 0.487381 0.182584 ] [ 0.549639 0.490271 0.820833 ] [ 0.762491 0.491177 0.994978 ] [ 0.762491 0.508823 0.494978 ] [ 0.549639 0.509729 0.320833 ] [ 0.917512 0.512619 0.682584 ] [ 0.85179 0.995024 0.097848 ] [ 0.657386 0.995354 0.903054 ] [ 0.657386 0.004646 0.403054 ] [ 0.85179 0.004976 0.597848 ] [ 0.343708 0.498633 0.596144 ] [ 0.343708 0.501367 0.096144 ] [ 0.117986 0.752959 0.120943 ] [ 0.599998 0.751988 0.099191 ] [ 0.427326 0.76139 0.417455 ] [ 0.895676 0.756938 0.402549 ] [ 0.58336 0.75565 0.57959 ] [ 0.096173 0.752121 0.599134 ] [ 0.873982 0.759872 0.882668 ] [ 0.409115 0.756783 0.902691 ] [ 0.806409 0.946342 0.003432 ] [ 0.492277 0.950562 0.292567 ] [ 0.904997 0.954681 0.703055 ] [ 0.904997 0.045319 0.203055 ] [ 0.492277 0.049438 0.792567 ] [ 0.806409 0.053658 0.503432 ] [ 0.096173 0.247879 0.099134 ] [ 0.58336 0.24435 0.07959 ] [ 0.873982 0.240128 0.382668 ] [ 0.409115 0.243217 0.402691 ] [ 0.599998 0.248012 0.599191 ] [ 0.117986 0.247041 0.620943 ] [ 0.895676 0.243062 0.902549 ] [ 0.427326 0.23861 0.917455 ] [ 0.183385 0.434148 0.500405 ] [ 0.505803 0.446729 0.206486 ] [ 0.093829 0.444402 0.790745 ] [ 0.093829 0.555598 0.290745 ] [ 0.505803 0.553271 0.706486 ] [ 0.183385 0.565852 0.000405 ] ] } "species" { "source-value" [ "Li" "Li" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.5966234 "source-unit" "angstrom" } "b" { "source-value" 5.60092924 "source-unit" "angstrom" } "c" { "source-value" 21.28143263 "source-unit" "angstrom" } "beta" { "source-value" 105.0579692 "source-unit" "degree" } }