{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.203086 0 0.90173 ] [ 0.399668 0.5 0.79935 ] [ 0.600254 0 0.700095 ] [ 0 0 0.5 ] [ 0.79999 0.5 0.59997 ] [ 0.20001 0.5 0.40003 ] [ 0.399746 0 0.299905 ] [ 0.600332 0.5 0.20065 ] [ 0.796914 0 0.09827 ] [ 0.899186 0.5 0.801295 ] [ 0.695282 0 0.90222 ] [ 0.099232 0 0.700244 ] [ 0.299875 0.5 0.600032 ] [ 0.5 0 0.5 ] [ 0.900768 0 0.299756 ] [ 0.700125 0.5 0.399968 ] [ 0.100814 0.5 0.198705 ] [ 0.304718 0 0.09778 ] [ 0.5 0.5 0 ] [ 0.280588 0 0.001754 ] [ 0.535527 0.5 0.093614 ] [ 0.719412 0 0.998246 ] [ 0.933005 0.5 0.898936 ] [ 0.464473 0.5 0.906386 ] [ 0.135109 0 0.797844 ] [ 0.663855 0 0.803799 ] [ 0.865085 0.5 0.703238 ] [ 0.064956 0 0.602812 ] [ 0.334882 0.5 0.69736 ] [ 0.535015 0 0.597273 ] [ 0.264952 0.5 0.502739 ] [ 0.935044 0 0.397188 ] [ 0.464985 0 0.402727 ] [ 0.735048 0.5 0.497261 ] [ 0.864891 0 0.202156 ] [ 0.134915 0.5 0.296762 ] [ 0.665118 0.5 0.30264 ] [ 0.336145 0 0.196201 ] [ 0.066995 0.5 0.101064 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Co" "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" 5.9791358 "source-unit" "angstrom" } "b" { "source-value" 2.97297356 "source-unit" "angstrom" } "c" { "source-value" 21.25559234 "source-unit" "angstrom" } "beta" { "source-value" 97.54158049 "source-unit" "degree" } }