{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.090452 0.310511 0.148875 ] [ 0.909548 0.310511 0.851125 ] [ 0.909548 0.689489 0.851125 ] [ 0.090452 0.689489 0.148875 ] [ 0.590452 0.810511 0.148875 ] [ 0.409548 0.810511 0.851125 ] [ 0.409548 0.189489 0.851125 ] [ 0.590452 0.189489 0.148875 ] [ 0.226761 0 0.617494 ] [ 0.773239 0 0.382506 ] [ 0.726761 0.5 0.617494 ] [ 0.273239 0.5 0.382506 ] [ 0 0.241097 0 ] [ 0 0.758903 0 ] [ 0.5 0.741097 0 ] [ 0.5 0.258903 0 ] ] } "species" { "source-value" [ "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" "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" 8.05113528717 "source-unit" "angstrom" } "b" { "source-value" 8.48154340741 "source-unit" "angstrom" } "c" { "source-value" 3.70305406986 "source-unit" "angstrom" } "beta" { "source-value" 105.051985128 "source-unit" "degree" } }