{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.297131 0.5 0.898449 ] [ 0.09998 0.5 0.300986 ] [ 0.90002 0.5 0.699014 ] [ 0.5 0.5 0.5 ] [ 0.702869 0.5 0.101551 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.796107 0.5 0.398419 ] [ 0.599604 0.5 0.799223 ] [ 0.400396 0.5 0.200777 ] [ 0.203893 0.5 0.601581 ] [ 0.099515 0 0.798995 ] [ 0.900485 0 0.201005 ] [ 0.701609 0 0.597508 ] [ 0.298391 0 0.402492 ] [ 0.024852 0.5 0.159136 ] [ 0.975148 0.5 0.840864 ] [ 0.833864 0.5 0.553844 ] [ 0.775595 0.5 0.242914 ] [ 0.643815 0.5 0.955645 ] [ 0.580641 0.5 0.639616 ] [ 0.419359 0.5 0.360384 ] [ 0.356185 0.5 0.044355 ] [ 0.224405 0.5 0.757086 ] [ 0.166136 0.5 0.446156 ] [ 0.020966 0 0.641035 ] [ 0.979034 0 0.358965 ] [ 0.835153 0 0.045504 ] [ 0.768063 0 0.759155 ] [ 0.634617 0 0.443907 ] [ 0.569595 0 0.160897 ] [ 0.430405 0 0.839103 ] [ 0.365383 0 0.556093 ] [ 0.231937 0 0.240845 ] [ 0.164847 0 0.954496 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.0477011 "source-unit" "angstrom" } "b" { "source-value" 2.86157845 "source-unit" "angstrom" } "c" { "source-value" 24.26773201 "source-unit" "angstrom" } "beta" { "source-value" 93.78880064 "source-unit" "degree" } }