{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.826725 0 0.271585 ] [ 0.673275 0.5 0.728415 ] [ 0.5 0 0.5 ] [ 0.326725 0.5 0.271585 ] [ 0.173275 0 0.728415 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.650138 0.5 0.237369 ] [ 0.849862 0 0.762631 ] [ 0.150138 0 0.237369 ] [ 0.349862 0.5 0.762631 ] [ 0.466965 0.730182 0.769446 ] [ 0.746269 0 0.561892 ] [ 0.753731 0.5 0.438108 ] [ 0.75846 0.5 0.034994 ] [ 0.74154 0 0.965006 ] [ 0.966965 0.769818 0.769446 ] [ 0.033035 0.769818 0.230554 ] [ 0.533035 0.730182 0.230554 ] [ 0.966965 0.230182 0.769446 ] [ 0.246269 0.5 0.561892 ] [ 0.253731 0 0.438108 ] [ 0.25846 0 0.034994 ] [ 0.24154 0.5 0.965006 ] [ 0.466965 0.269818 0.769446 ] [ 0.533035 0.269818 0.230554 ] [ 0.033035 0.230182 0.230554 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "P" "P" "P" "P" "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" 8.2232564185 "source-unit" "angstrom" } "b" { "source-value" 5.437513 "source-unit" "angstrom" } "c" { "source-value" 6.26817323234 "source-unit" "angstrom" } "beta" { "source-value" 90.5109713564 "source-unit" "degree" } }