{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.842013 0.5 0.127283 ] [ 0.87749 0 0.636873 ] [ 0.947134 0 0.302387 ] [ 0.938512 0.5 0.816877 ] [ 0.342013 0 0.127283 ] [ 0.37749 0.5 0.636873 ] [ 0.447134 0.5 0.302387 ] [ 0.438512 0 0.816877 ] [ 0.209317 0.5 0.02866 ] [ 0.692074 0.194571 0.831852 ] [ 0.692074 0.805429 0.831852 ] [ 0.658015 0.5 0.551963 ] [ 0.709317 0 0.02866 ] [ 0.192074 0.694571 0.831852 ] [ 0.192074 0.305429 0.831852 ] [ 0.158015 0 0.551963 ] [ 0.30596 0.277038 0.191552 ] [ 0.30596 0.722962 0.191552 ] [ 0.07184 0 0.703486 ] [ 0.069791 0.763018 0.420222 ] [ 0.069791 0.236982 0.420222 ] [ 0.805431 0.5 0.928532 ] [ 0.796177 0.261299 0.686545 ] [ 0.796177 0.738701 0.686545 ] [ 0.073372 0.264342 0.942888 ] [ 0.073372 0.735658 0.942888 ] [ 0.057738 0.5 0.691526 ] [ 0.842764 0 0.941294 ] [ 0.80596 0.777038 0.191552 ] [ 0.80596 0.222962 0.191552 ] [ 0.57184 0.5 0.703486 ] [ 0.569791 0.263018 0.420222 ] [ 0.569791 0.736982 0.420222 ] [ 0.305431 0 0.928532 ] [ 0.296177 0.761299 0.686545 ] [ 0.296177 0.238701 0.686545 ] [ 0.573372 0.764342 0.942888 ] [ 0.573372 0.235658 0.942888 ] [ 0.557738 0 0.691526 ] [ 0.342764 0.5 0.941294 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.05364117 "source-unit" "angstrom" } "b" { "source-value" 7.15624055 "source-unit" "angstrom" } "c" { "source-value" 12.34525954 "source-unit" "angstrom" } "beta" { "source-value" 111.18530832 "source-unit" "degree" } }