{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.974463 0.258712 0.249674 ] [ 0.645318 0.246426 0.749989 ] [ 0.356029 0.752081 0.249907 ] [ 0.027164 0.741214 0.750278 ] [ 0.991035 0.753589 0.011752 ] [ 0.007392 0.247352 0.988612 ] [ 0.992422 0.748576 0.489552 ] [ 0.00805 0.248053 0.51054 ] [ 0.499571 0.999767 0.999925 ] [ 0.502235 0.99935 0.505572 ] [ 0.49934 0.499532 0.999739 ] [ 0.498028 0.499826 0.495191 ] [ 0.83594 0.977427 0.900026 ] [ 0.821748 0.997828 0.614244 ] [ 0.848779 0.50246 0.594097 ] [ 0.833973 0.480409 0.889679 ] [ 0.667684 0.743952 0.096746 ] [ 0.668486 0.756697 0.403161 ] [ 0.686805 0.249272 0.085002 ] [ 0.686794 0.251311 0.414025 ] [ 0.314666 0.74495 0.586555 ] [ 0.313047 0.752498 0.913875 ] [ 0.331081 0.250327 0.597171 ] [ 0.331359 0.255094 0.902775 ] [ 0.16631 0.020582 0.103064 ] [ 0.152854 0.004009 0.405579 ] [ 0.162631 0.51783 0.105596 ] [ 0.176796 0.500876 0.387673 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" 5.06679259 "source-unit" "angstrom" } "b" { "source-value" 5.90934994 "source-unit" "angstrom" } "c" { "source-value" 11.01085148 "source-unit" "angstrom" } "alpha" { "source-value" 89.07548311 "source-unit" "degree" } "beta" { "source-value" 89.91991485 "source-unit" "degree" } "gamma" { "source-value" 89.28698015 "source-unit" "degree" } }