{ "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" [ [ 0.773868 0.476189 0.181825 ] [ 0.773868 0.023811 0.181825 ] [ 0.226132 0.523811 0.818175 ] [ 0.226132 0.976189 0.818175 ] [ 0.233024 0.25 0.358661 ] [ 0.766976 0.75 0.641339 ] [ 0.264774 0.25 0.061605 ] [ 0.735226 0.75 0.938395 ] [ 0.280451 0.75 0.416271 ] [ 0.719549 0.25 0.583729 ] [ 0.715745 0.75 0.081245 ] [ 0.032321 0.25 0.123451 ] [ 0.476076 0.25 0.154735 ] [ 0.172103 0.931686 0.335387 ] [ 0.172103 0.568314 0.335387 ] [ 0.799303 0.25 0.423526 ] [ 0.579314 0.75 0.41824 ] [ 0.420686 0.25 0.58176 ] [ 0.200697 0.75 0.576474 ] [ 0.827897 0.431686 0.664613 ] [ 0.827897 0.068314 0.664613 ] [ 0.523924 0.75 0.845265 ] [ 0.967679 0.75 0.876549 ] [ 0.284255 0.25 0.918755 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "C" "C" "S" "S" "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" 5.01177675 "source-unit" "angstrom" } "b" { "source-value" 6.55214972 "source-unit" "angstrom" } "c" { "source-value" 8.91166329 "source-unit" "angstrom" } "beta" { "source-value" 92.60124121 "source-unit" "degree" } }