{ "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" [ [ 0.166409 0.5 0.896426 ] [ 0.995472 0 0.992114 ] [ 0.998166 0 0.496662 ] [ 0.832836 0.5 0.398141 ] [ 0.666409 0 0.896426 ] [ 0.495472 0.5 0.992114 ] [ 0.498166 0.5 0.496662 ] [ 0.332836 0 0.398141 ] [ 0.086204 0.254537 0.213214 ] [ 0.086204 0.745463 0.213214 ] [ 0.171935 0 0.713935 ] [ 0.586204 0.754537 0.213214 ] [ 0.586204 0.245463 0.213214 ] [ 0.671935 0.5 0.713935 ] [ 0.170248 0.5 0.487439 ] [ 0.838683 0.5 0.98295 ] [ 0.670248 0 0.487439 ] [ 0.338683 0 0.98295 ] [ 0.830213 0 0.21199 ] [ 0.914979 0.254933 0.711194 ] [ 0.914979 0.745067 0.711194 ] [ 0.330213 0.5 0.21199 ] [ 0.414979 0.754933 0.711194 ] [ 0.414979 0.245067 0.711194 ] [ 0.089729 0.249958 0.597688 ] [ 0.020059 0.5 0.337878 ] [ 0.159604 0.5 0.105649 ] [ 0.005669 0 0.306542 ] [ 0.002433 0 0.800907 ] [ 0.089729 0.750042 0.597688 ] [ 0.234632 0.275933 0.346978 ] [ 0.234632 0.724067 0.346978 ] [ 0.164026 0 0.102196 ] [ 0.831574 0 0.595248 ] [ 0.756055 0.285752 0.847814 ] [ 0.756055 0.714248 0.847814 ] [ 0.830201 0.5 0.608384 ] [ 0.920679 0.256944 0.095525 ] [ 0.977838 0.5 0.846678 ] [ 0.920679 0.743056 0.095525 ] [ 0.589729 0.749958 0.597688 ] [ 0.520059 0 0.337878 ] [ 0.659604 0 0.105649 ] [ 0.505669 0.5 0.306542 ] [ 0.502433 0.5 0.800907 ] [ 0.589729 0.250042 0.597688 ] [ 0.734632 0.775933 0.346978 ] [ 0.734632 0.224067 0.346978 ] [ 0.664026 0.5 0.102196 ] [ 0.331574 0.5 0.595248 ] [ 0.256055 0.785752 0.847814 ] [ 0.256055 0.214248 0.847814 ] [ 0.330201 0 0.608384 ] [ 0.420679 0.756944 0.095525 ] [ 0.477838 0 0.846678 ] [ 0.420679 0.243056 0.095525 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Co" "Co" "Co" "Co" "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" "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" 10.0855361 "source-unit" "angstrom" } "b" { "source-value" 5.75767629 "source-unit" "angstrom" } "c" { "source-value" 9.29181213 "source-unit" "angstrom" } "beta" { "source-value" 91.57907203 "source-unit" "degree" } }