{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.766818 0.5 ] [ 0 0.080484 0.5 ] [ 0 0.744957 0 ] [ 0 0.432899 0 ] [ 0.5 0.933192 0.5 ] [ 0.5 0.244192 0.5 ] [ 0.5 0.582338 0 ] [ 0.5 0.26884 0 ] [ 0 0.097372 0 ] [ 0 0.414506 0.5 ] [ 0.5 0.598687 0.5 ] [ 0.5 0.916255 0 ] [ 0.148379 0.252265 0.241839 ] [ 0.18183 0.585033 0.279839 ] [ 0.17367 0.932983 0.214539 ] [ 0.323161 0.082923 0.780467 ] [ 0.321482 0.430185 0.719079 ] [ 0.353333 0.758224 0.749138 ] [ 0.646667 0.758224 0.250862 ] [ 0.678518 0.430185 0.280921 ] [ 0.676839 0.082923 0.219533 ] [ 0.82633 0.932983 0.785461 ] [ 0.81817 0.585033 0.720161 ] [ 0.851621 0.252265 0.758161 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Fe" "Fe" "Fe" "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" 4.95696237 "source-unit" "angstrom" } "b" { "source-value" 8.53103914 "source-unit" "angstrom" } "c" { "source-value" 4.99697424 "source-unit" "angstrom" } "beta" { "source-value" 90.23129256 "source-unit" "degree" } }