{ "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" [ [ 0.013027 0.9484 0.748863 ] [ 0.986973 0.0516 0.251137 ] [ 0.486973 0.4484 0.751137 ] [ 0.513027 0.5516 0.248863 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.311909 0.715153 0.552821 ] [ 0.811909 0.784847 0.052821 ] [ 0.210826 0.191216 0.54589 ] [ 0.710826 0.308784 0.04589 ] [ 0.09546 0.465712 0.240604 ] [ 0.40454 0.965712 0.259396 ] [ 0.688091 0.284847 0.447179 ] [ 0.789174 0.808784 0.45411 ] [ 0.90454 0.534288 0.759396 ] [ 0.289174 0.691216 0.95411 ] [ 0.59546 0.034288 0.740604 ] [ 0.188091 0.215153 0.947179 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Co" "Co" "Te" "Te" "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" 5.49650753659 "source-unit" "angstrom" } "b" { "source-value" 5.66475781099 "source-unit" "angstrom" } "c" { "source-value" 7.81675487699 "source-unit" "angstrom" } "beta" { "source-value" 90.374409718 "source-unit" "degree" } }