{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.992812 0.270675 0.705117 ] [ 0.992812 0.729325 0.705117 ] [ 0.362888 0.21107 0.269293 ] [ 0.362888 0.78893 0.269293 ] [ 0.697898 0.284951 0.029493 ] [ 0.697898 0.715049 0.029493 ] [ 0.401711 0 0.624249 ] [ 0.947462 0.5 0.34625 ] [ 0.493481 0.5 0.544661 ] [ 0.871657 0 0.397165 ] [ 0.138164 0.5 0.993836 ] [ 0.449451 0 0.919916 ] [ 0.218013 0 0.854356 ] [ 0.661909 0 0.840066 ] [ 0.032747 0.5 0.860077 ] [ 0.366455 0.691968 0.614046 ] [ 0.366455 0.308032 0.614046 ] [ 0.966133 0 0.563789 ] [ 0.802888 0.5 0.567624 ] [ 0.562254 0 0.38759 ] [ 0.4361 0.5 0.368279 ] [ 0.979209 0.192461 0.312959 ] [ 0.979209 0.807539 0.312959 ] [ 0.488311 0 0.067474 ] [ 0.965581 0.5 0.102238 ] [ 0.390892 0.5 0.026007 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "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" 5.03354485 "source-unit" "angstrom" } "b" { "source-value" 6.4222491 "source-unit" "angstrom" } "c" { "source-value" 8.93847198 "source-unit" "angstrom" } "beta" { "source-value" 92.37843255 "source-unit" "degree" } }