{ "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" [ [ 0.999921 0 0.333062 ] [ 0.000079 0 0.666938 ] [ 0.325268 0 0.589555 ] [ 0.327573 0 0.255081 ] [ 0.672427 0 0.744919 ] [ 0.674732 0 0.410445 ] [ 0.499921 0.5 0.333062 ] [ 0.500079 0.5 0.666938 ] [ 0.825268 0.5 0.589555 ] [ 0.827573 0.5 0.255081 ] [ 0.172427 0.5 0.744919 ] [ 0.174732 0.5 0.410445 ] [ 0.002668 0 0.164857 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.997332 0 0.835143 ] [ 0.502668 0.5 0.164857 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.497332 0.5 0.835143 ] [ 0.654856 0 0.24411 ] [ 0.649446 0 0.57944 ] [ 0.350554 0 0.42056 ] [ 0.348306 0 0.082763 ] [ 0.651694 0 0.917237 ] [ 0.345144 0 0.75589 ] [ 0.154856 0.5 0.24411 ] [ 0.149446 0.5 0.57944 ] [ 0.850554 0.5 0.42056 ] [ 0.848306 0.5 0.082763 ] [ 0.151694 0.5 0.917237 ] [ 0.845144 0.5 0.75589 ] [ 0.035019 0.7341 0.240324 ] [ 0.968982 0.265859 0.423116 ] [ 0.035883 0.258922 0.918496 ] [ 0.964117 0.258922 0.081504 ] [ 0.035883 0.741078 0.918496 ] [ 0.964117 0.741078 0.081504 ] [ 0.968982 0.734141 0.423116 ] [ 0.031018 0.734141 0.576884 ] [ 0.748736 0 0.313626 ] [ 0.964981 0.7341 0.759676 ] [ 0.766864 0 0.179219 ] [ 0.964981 0.2659 0.759676 ] [ 0.757653 0 0.512072 ] [ 0.749708 0 0.847775 ] [ 0.031018 0.265859 0.576884 ] [ 0.750229 0 0.646998 ] [ 0.249771 0 0.353002 ] [ 0.251264 0 0.686374 ] [ 0.250292 0 0.152225 ] [ 0.238613 0 0.017431 ] [ 0.242347 0 0.487928 ] [ 0.233136 0 0.820781 ] [ 0.035019 0.2659 0.240324 ] [ 0.761387 0 0.982569 ] [ 0.535019 0.2341 0.240324 ] [ 0.468982 0.765859 0.423116 ] [ 0.535883 0.758922 0.918496 ] [ 0.464117 0.758922 0.081504 ] [ 0.535883 0.241078 0.918496 ] [ 0.464117 0.241078 0.081504 ] [ 0.468982 0.234141 0.423116 ] [ 0.531018 0.234141 0.576884 ] [ 0.248736 0.5 0.313626 ] [ 0.464981 0.2341 0.759676 ] [ 0.266864 0.5 0.179219 ] [ 0.464981 0.7659 0.759676 ] [ 0.257653 0.5 0.512072 ] [ 0.249708 0.5 0.847775 ] [ 0.531018 0.765859 0.576884 ] [ 0.250229 0.5 0.646998 ] [ 0.749771 0.5 0.353002 ] [ 0.751264 0.5 0.686374 ] [ 0.750292 0.5 0.152225 ] [ 0.738613 0.5 0.017431 ] [ 0.742347 0.5 0.487928 ] [ 0.733136 0.5 0.820781 ] [ 0.535019 0.7659 0.240324 ] [ 0.261387 0.5 0.982569 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 8.14906485747 "source-unit" "angstrom" } "b" { "source-value" 5.33469583634 "source-unit" "angstrom" } "c" { "source-value" 18.8315763554 "source-unit" "angstrom" } "beta" { "source-value" 90.3650514448 "source-unit" "degree" } }