{ "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 ] [ 0.238743 0 0.261061 ] [ 0.761257 0 0.738939 ] [ 0.271432 0 0.006718 ] [ 0.728568 0 0.993282 ] [ 0.022159 0.69857 0.279657 ] [ 0.022159 0.30143 0.279657 ] [ 0.977841 0.30143 0.720343 ] [ 0.977841 0.69857 0.720343 ] [ 0.882311 0.801759 0.317279 ] [ 0.882311 0.198241 0.317279 ] [ 0.117689 0.198241 0.682721 ] [ 0.117689 0.801759 0.682721 ] [ 0.738743 0.5 0.261061 ] [ 0.261257 0.5 0.738939 ] [ 0.771432 0.5 0.006718 ] [ 0.228568 0.5 0.993282 ] [ 0.522159 0.19857 0.279657 ] [ 0.522159 0.80143 0.279657 ] [ 0.477841 0.80143 0.720343 ] [ 0.477841 0.19857 0.720343 ] [ 0.382311 0.301759 0.317279 ] [ 0.382311 0.698241 0.317279 ] [ 0.617689 0.698241 0.682721 ] [ 0.617689 0.301759 0.682721 ] [ 0.317609 0 0.612404 ] [ 0.682391 0 0.387596 ] [ 0.817609 0.5 0.612404 ] [ 0.182391 0.5 0.387596 ] [ 0.199525 0 0.109239 ] [ 0.800475 0 0.890761 ] [ 0.957465 0.793466 0.221343 ] [ 0.957465 0.206534 0.221343 ] [ 0.042535 0.206534 0.778657 ] [ 0.042535 0.793466 0.778657 ] [ 0.699525 0.5 0.109239 ] [ 0.300475 0.5 0.890761 ] [ 0.457465 0.293466 0.221343 ] [ 0.457465 0.706534 0.221343 ] [ 0.542535 0.706534 0.778657 ] [ 0.542535 0.293466 0.778657 ] ] } "species" { "source-value" [ "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" "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" 9.93590605 "source-unit" "angstrom" } "b" { "source-value" 7.14105264 "source-unit" "angstrom" } "c" { "source-value" 6.10979793 "source-unit" "angstrom" } "beta" { "source-value" 93.89971752 "source-unit" "degree" } }