{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.760358 0.395942 0.544289 ] [ 0.281224 0.613928 0.07559 ] [ 0.401496 0.864236 0.617906 ] [ 0.694292 0.061472 0.694442 ] [ 0.739642 0.895942 0.455711 ] [ 0.901496 0.635764 0.617906 ] [ 0.305708 0.938528 0.305558 ] [ 0.805708 0.561472 0.305558 ] [ 0.194292 0.438528 0.694442 ] [ 0.781224 0.886072 0.07559 ] [ 0.098504 0.364236 0.382094 ] [ 0.384146 0.354583 0.107332 ] [ 0.218776 0.113928 0.92441 ] [ 0.884146 0.145417 0.107332 ] [ 0.115854 0.854583 0.892668 ] [ 0.718776 0.386072 0.92441 ] [ 0.598504 0.135764 0.382094 ] [ 0.260358 0.104058 0.544289 ] [ 0.615854 0.645417 0.892668 ] [ 0.239642 0.604058 0.455711 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cl" "Cl" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.38004812296 "source-unit" "angstrom" } "b" { "source-value" 9.34586386 "source-unit" "angstrom" } "c" { "source-value" 7.56303266027 "source-unit" "angstrom" } "beta" { "source-value" 101.330690219 "source-unit" "degree" } }