{ "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" [ [ 0.309816 0.919999 0.748489 ] [ 0.190184 0.419999 0.751511 ] [ 0.690184 0.080001 0.251511 ] [ 0.809816 0.580001 0.248489 ] [ 0.330116 0.702285 0.284675 ] [ 0.669884 0.297715 0.715325 ] [ 0.830116 0.797715 0.784675 ] [ 0.169884 0.202285 0.215325 ] [ 0.509627 0.118824 0.441093 ] [ 0.009627 0.381176 0.941093 ] [ 0.990373 0.618824 0.058907 ] [ 0.490373 0.881176 0.558907 ] [ 0.049516 0.020566 0.803675 ] [ 0.450484 0.520566 0.696325 ] [ 0.950484 0.979434 0.196325 ] [ 0.549516 0.479434 0.303675 ] [ 0.003347 0.689841 0.582333 ] [ 0.496653 0.189841 0.917667 ] [ 0.996653 0.310159 0.417667 ] [ 0.503347 0.810159 0.082333 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "As" "As" "As" "As" "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" 8.00226521542 "source-unit" "angstrom" } "b" { "source-value" 9.37282541 "source-unit" "angstrom" } "c" { "source-value" 8.22368024431 "source-unit" "angstrom" } "beta" { "source-value" 116.945877493 "source-unit" "degree" } }