{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.767321 0.5 0.804432 ] [ 0.014469 0.736468 0.79484 ] [ 0.014469 0.263532 0.79484 ] [ 0.759125 0 0.793837 ] [ 0.240875 0 0.206163 ] [ 0.985531 0.736468 0.20516 ] [ 0.985531 0.263532 0.20516 ] [ 0.232679 0.5 0.195568 ] [ 0.267321 0 0.804432 ] [ 0.514469 0.236468 0.79484 ] [ 0.514469 0.763532 0.79484 ] [ 0.259125 0.5 0.793837 ] [ 0.740875 0.5 0.206163 ] [ 0.485531 0.236468 0.20516 ] [ 0.485531 0.763532 0.20516 ] [ 0.732679 0 0.195568 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Ni" "Ni" "O" "O" "O" "O" "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" 9.76469211 "source-unit" "angstrom" } "b" { "source-value" 5.61353717 "source-unit" "angstrom" } "c" { "source-value" 5.88420771 "source-unit" "angstrom" } "beta" { "source-value" 124.48124463 "source-unit" "degree" } }