{ "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 0 0 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.024381 0.75 0.277178 ] [ 0.975619 0.25 0.722822 ] [ 0.516943 0.25 0.221697 ] [ 0.483057 0.75 0.778303 ] [ 0.58212 0.75 0.091494 ] [ 0.081827 0.25 0.40445 ] [ 0.918173 0.75 0.59555 ] [ 0.41788 0.25 0.908506 ] [ 0.295186 0.25 0.049134 ] [ 0.257884 0.75 0.093748 ] [ 0.717452 0.956675 0.163524 ] [ 0.717452 0.543325 0.163524 ] [ 0.219413 0.454362 0.332534 ] [ 0.219413 0.045638 0.332534 ] [ 0.757087 0.25 0.399782 ] [ 0.793887 0.75 0.455188 ] [ 0.206113 0.25 0.544812 ] [ 0.242913 0.75 0.600218 ] [ 0.780587 0.954362 0.667466 ] [ 0.780587 0.545638 0.667466 ] [ 0.282548 0.456675 0.836476 ] [ 0.282548 0.043325 0.836476 ] [ 0.742116 0.25 0.906252 ] [ 0.704814 0.75 0.950866 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Ni" "Ni" "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" 4.73638536 "source-unit" "angstrom" } "b" { "source-value" 6.00375813 "source-unit" "angstrom" } "c" { "source-value" 10.236088 "source-unit" "angstrom" } "beta" { "source-value" 90.48092296 "source-unit" "degree" } }