{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0.249971 0.5 0.500388 ] [ 0.250029 0 0.499612 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.749971 0 0.500388 ] [ 0.750029 0.5 0.499612 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0 ] [ 0 0.74791 0.5 ] [ 0.5 0.75209 0.5 ] [ 0 0 0 ] [ 0.5 0.24791 0.5 ] [ 0 0.25209 0.5 ] [ 0.110619 0.741016 0.234708 ] [ 0.110619 0.258984 0.234708 ] [ 0.110754 0.5 0.752918 ] [ 0.38713 0.5 0.25916 ] [ 0.389246 0 0.247082 ] [ 0.389381 0.241016 0.765292 ] [ 0.11287 0 0.74084 ] [ 0.389381 0.758984 0.765292 ] [ 0.610619 0.241016 0.234708 ] [ 0.610619 0.758984 0.234708 ] [ 0.610754 0 0.752918 ] [ 0.88713 0 0.25916 ] [ 0.889246 0.5 0.247082 ] [ 0.889381 0.741016 0.765292 ] [ 0.61287 0.5 0.74084 ] [ 0.889381 0.258984 0.765292 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 10.22383272 "source-unit" "angstrom" } "b" { "source-value" 5.86901142 "source-unit" "angstrom" } "c" { "source-value" 5.08165993 "source-unit" "angstrom" } "beta" { "source-value" 109.34174524 "source-unit" "degree" } }