{ "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" [ [ 0.757214 0.849579 0.46329 ] [ 0.242786 0.349579 0.03671 ] [ 0.242786 0.150421 0.53671 ] [ 0.757214 0.650421 0.96329 ] [ 0.358493 0.45976 0.648621 ] [ 0.358493 0.04024 0.148621 ] [ 0.641507 0.95976 0.851379 ] [ 0.641507 0.54024 0.351379 ] [ 0.472436 0.097069 0.93876 ] [ 0.527564 0.597069 0.56124 ] [ 0.22059 0.319741 0.722435 ] [ 0.258655 0.530407 0.848303 ] [ 0.741345 0.469593 0.151697 ] [ 0.22059 0.180259 0.222435 ] [ 0.527564 0.902931 0.06124 ] [ 0.258655 0.969593 0.348303 ] [ 0.77941 0.819741 0.777565 ] [ 0.472436 0.402931 0.43876 ] [ 0.77941 0.680259 0.277565 ] [ 0.741345 0.030407 0.651697 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cu" "Cu" "Cu" "Cu" "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" 4.75782224064 "source-unit" "angstrom" } "b" { "source-value" 14.37214051 "source-unit" "angstrom" } "c" { "source-value" 9.83098337754 "source-unit" "angstrom" } "beta" { "source-value" 90.7572862204 "source-unit" "degree" } }