{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.184487 0.732264 0.808707 ] [ 0.815513 0.732264 0.691293 ] [ 0.815513 0.267736 0.191293 ] [ 0.184487 0.267736 0.308707 ] [ 0.5 0.885573 0.75 ] [ 0.5 0.114427 0.25 ] [ 0 0.017854 0.75 ] [ 0 0.982146 0.25 ] [ 0.251975 0.127331 0.464117 ] [ 0.748025 0.127331 0.035883 ] [ 0.748025 0.872669 0.535883 ] [ 0.251975 0.872669 0.964117 ] [ 0.1303 0.395554 0.135781 ] [ 0.8697 0.395554 0.364219 ] [ 0.8697 0.604446 0.864219 ] [ 0.1303 0.604446 0.635781 ] [ 0.357016 0.537351 0.358795 ] [ 0.642984 0.537351 0.141205 ] [ 0.642984 0.462649 0.641205 ] [ 0.357016 0.462649 0.858795 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.43236712836 "source-unit" "angstrom" } "b" { "source-value" 7.06741279 "source-unit" "angstrom" } "c" { "source-value" 13.0841651762 "source-unit" "angstrom" } "beta" { "source-value" 93.4563912698 "source-unit" "degree" } }