{ "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" [ [ 0.782452 0.48643 0.213086 ] [ 0.782452 0.01357 0.213086 ] [ 0.217548 0.51357 0.786914 ] [ 0.217548 0.98643 0.786914 ] [ 0.218561 0.25 0.342884 ] [ 0.781439 0.75 0.657116 ] [ 0.292668 0.75 0.427946 ] [ 0.707332 0.25 0.572054 ] [ 0.281961 0.25 0.053372 ] [ 0.718039 0.75 0.946628 ] [ 0.726948 0.75 0.0925 ] [ 0.064183 0.25 0.12708 ] [ 0.488973 0.25 0.142116 ] [ 0.182073 0.953325 0.318936 ] [ 0.182073 0.546675 0.318936 ] [ 0.811415 0.25 0.390032 ] [ 0.626609 0.75 0.446372 ] [ 0.373391 0.25 0.553628 ] [ 0.188585 0.75 0.609968 ] [ 0.817927 0.453325 0.681064 ] [ 0.817927 0.046675 0.681064 ] [ 0.511027 0.75 0.857884 ] [ 0.935817 0.75 0.87292 ] [ 0.273052 0.25 0.9075 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "As" "As" "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" 5.22300845 "source-unit" "angstrom" } "b" { "source-value" 6.50854477 "source-unit" "angstrom" } "c" { "source-value" 8.7134947 "source-unit" "angstrom" } "beta" { "source-value" 93.34298059 "source-unit" "degree" } }