{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.818284 0.305219 0.004242 ] [ 0.818284 0.694781 0.504242 ] [ 0.472183 0.153821 0.435477 ] [ 0.202022 0.937035 0.126477 ] [ 0.510156 0.448806 0.19221 ] [ 0.472183 0.846179 0.935477 ] [ 0.202022 0.062965 0.626477 ] [ 0.510156 0.551194 0.69221 ] [ 0.774249 0.988005 0.733404 ] [ 0.774249 0.011995 0.233404 ] [ 0.133753 0.44637 0.821373 ] [ 0.133753 0.55363 0.321373 ] [ 0.534532 0.850456 0.739023 ] [ 0.790259 0.048096 0.07016 ] [ 0.091225 0.049397 0.393092 ] [ 0.8782 0.427871 0.204814 ] [ 0.416804 0.442307 0.374315 ] [ 0.143977 0.725345 0.234404 ] [ 0.126604 0.591028 0.475152 ] [ 0.60775 0.192751 0.695861 ] [ 0.534532 0.149544 0.239023 ] [ 0.790259 0.951904 0.57016 ] [ 0.091225 0.950603 0.893092 ] [ 0.8782 0.572129 0.704814 ] [ 0.416804 0.557693 0.874315 ] [ 0.143977 0.274655 0.734404 ] [ 0.126604 0.408972 0.975152 ] [ 0.60775 0.807249 0.195861 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Si" "Si" "P" "P" "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" 5.56441518 "source-unit" "angstrom" } "b" { "source-value" 7.16567717 "source-unit" "angstrom" } "c" { "source-value" 9.83910854 "source-unit" "angstrom" } "beta" { "source-value" 122.14731487 "source-unit" "degree" } }