{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.846369 0.309634 0.624918 ] [ 0.768052 0.728602 0.019635 ] [ 0.762791 0.299482 0.038341 ] [ 0.857126 0.814637 0.630147 ] [ 0.142874 0.185363 0.369853 ] [ 0.237209 0.700518 0.961659 ] [ 0.231948 0.271398 0.980365 ] [ 0.153631 0.690366 0.375082 ] ] } "species" { "source-value" [ "Co" "Cu" "Cu" "Cu" "Cu" "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" 5.46630156 "source-unit" "angstrom" } "b" { "source-value" 5.69646763 "source-unit" "angstrom" } "c" { "source-value" 6.08722204 "source-unit" "angstrom" } "alpha" { "source-value" 117.70847395 "source-unit" "degree" } "beta" { "source-value" 106.77108574 "source-unit" "degree" } "gamma" { "source-value" 90.20508725 "source-unit" "degree" } }