{ "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" [ [ 0.241007 0.75 0.10641 ] [ 0.770735 0.979761 0.279392 ] [ 0.770735 0.520239 0.279392 ] [ 0.229265 0.479761 0.720608 ] [ 0.229265 0.020239 0.720608 ] [ 0.758993 0.25 0.89359 ] [ 0.201248 0.25 0.332927 ] [ 0.798752 0.75 0.667073 ] [ 0.293016 0.75 0.42084 ] [ 0.706984 0.25 0.57916 ] [ 0.27917 0.25 0.03583 ] [ 0.72083 0.75 0.96417 ] [ 0.665048 0.75 0.112152 ] [ 0.033114 0.25 0.078993 ] [ 0.473554 0.25 0.146202 ] [ 0.187943 0.944223 0.3031 ] [ 0.187943 0.555777 0.3031 ] [ 0.627816 0.75 0.445363 ] [ 0.823307 0.25 0.401907 ] [ 0.176693 0.75 0.598093 ] [ 0.372184 0.25 0.554637 ] [ 0.812057 0.444223 0.6969 ] [ 0.812057 0.055777 0.6969 ] [ 0.526446 0.75 0.853798 ] [ 0.966886 0.75 0.921007 ] [ 0.334952 0.25 0.887848 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Si" "Si" "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" 4.95133569 "source-unit" "angstrom" } "b" { "source-value" 6.36880138 "source-unit" "angstrom" } "c" { "source-value" 8.41111304 "source-unit" "angstrom" } "beta" { "source-value" 93.48567465 "source-unit" "degree" } }