{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.762737 0.045163 ] [ 0.960759 0.230882 0.172895 ] [ 0.539241 0.230882 0.172895 ] [ 0.039241 0.730882 0.327105 ] [ 0.460759 0.730882 0.327105 ] [ 0.75 0.262737 0.454837 ] [ 0.25 0.737263 0.545163 ] [ 0.960759 0.269118 0.672895 ] [ 0.539241 0.269118 0.672895 ] [ 0.460759 0.769118 0.827105 ] [ 0.039241 0.769118 0.827105 ] [ 0.75 0.237263 0.954837 ] [ 0.75 0.733584 0.079152 ] [ 0.25 0.233584 0.420848 ] [ 0.75 0.766416 0.579152 ] [ 0.25 0.266416 0.920848 ] [ 0.25 0.949753 0.904018 ] [ 0.034744 0.738342 0.152216 ] [ 0.465256 0.738342 0.152216 ] [ 0.25 0.240038 0.118521 ] [ 0.75 0.41996 0.098538 ] [ 0.25 0.91996 0.401462 ] [ 0.75 0.740038 0.381479 ] [ 0.965256 0.238342 0.347784 ] [ 0.534744 0.238342 0.347784 ] [ 0.75 0.449753 0.595982 ] [ 0.25 0.550247 0.404018 ] [ 0.465256 0.761658 0.652216 ] [ 0.034744 0.761658 0.652216 ] [ 0.25 0.259962 0.618521 ] [ 0.75 0.08004 0.598538 ] [ 0.25 0.58004 0.901462 ] [ 0.75 0.759962 0.881479 ] [ 0.965256 0.261658 0.847784 ] [ 0.534744 0.261658 0.847784 ] [ 0.75 0.050247 0.095982 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.62387407 "source-unit" "angstrom" } "b" { "source-value" 6.71800993 "source-unit" "angstrom" } "c" { "source-value" 10.60101649 "source-unit" "angstrom" } }