{ "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" [ [ 0.737641 0.978796 0.266885 ] [ 0.262359 0.021204 0.733115 ] [ 0.783925 0.25 0.8954 ] [ 0.216075 0.75 0.1046 ] [ 0.262359 0.478796 0.733115 ] [ 0.737641 0.521204 0.266885 ] [ 0.77928 0.75 0.65655 ] [ 0.22072 0.25 0.34345 ] [ 0.731998 0.25 0.590632 ] [ 0.268002 0.75 0.409368 ] [ 0.687822 0.75 0.962505 ] [ 0.312178 0.25 0.037495 ] [ 0.496922 0.25 0.156199 ] [ 0.936632 0.75 0.93571 ] [ 0.183255 0.75 0.576736 ] [ 0.503078 0.75 0.843801 ] [ 0.156537 0.565664 0.309922 ] [ 0.816745 0.25 0.423264 ] [ 0.156537 0.934336 0.309922 ] [ 0.843463 0.434336 0.690078 ] [ 0.843463 0.065664 0.690078 ] [ 0.41797 0.25 0.579017 ] [ 0.616924 0.75 0.103872 ] [ 0.383076 0.25 0.896128 ] [ 0.58203 0.75 0.420983 ] [ 0.063368 0.25 0.06429 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "P" "P" "C" "C" "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" 5.00708165814 "source-unit" "angstrom" } "b" { "source-value" 6.58497117 "source-unit" "angstrom" } "c" { "source-value" 8.62497777321 "source-unit" "angstrom" } "beta" { "source-value" 95.7415819248 "source-unit" "degree" } }