{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.606699 0.106699 0.5 ] [ 0.106699 0.393301 0.5 ] [ 0.893301 0.606699 0.5 ] [ 0.393301 0.893301 0.5 ] [ 0.157536 0.087675 0 ] [ 0.087675 0.842464 0 ] [ 0.912325 0.157536 0 ] [ 0.842464 0.912325 0 ] [ 0.342464 0.587675 0 ] [ 0.657536 0.412325 0 ] [ 0.587675 0.657536 0 ] [ 0.412325 0.342464 0 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.820491 0.320491 0 ] [ 0.320491 0.179509 0 ] [ 0.679509 0.820491 0 ] [ 0.179509 0.679509 0 ] [ 0.924413 0.424413 0.5 ] [ 0.424413 0.075587 0.5 ] [ 0.575587 0.924413 0.5 ] [ 0.075587 0.575587 0.5 ] [ 0.075474 0.259844 0 ] [ 0.259844 0.924526 0 ] [ 0.740156 0.075474 0 ] [ 0.924526 0.740156 0 ] [ 0.424526 0.759844 0 ] [ 0.575474 0.240156 0 ] [ 0.759844 0.575474 0 ] [ 0.240156 0.424526 0 ] [ 0.031329 0.109702 0.5 ] [ 0.109702 0.968671 0.5 ] [ 0.890298 0.031329 0.5 ] [ 0.968671 0.890298 0.5 ] [ 0.468671 0.609702 0.5 ] [ 0.531329 0.390298 0.5 ] [ 0.609702 0.531329 0.5 ] [ 0.390298 0.468671 0.5 ] [ 0.178592 0.210449 0.5 ] [ 0.210449 0.821408 0.5 ] [ 0.789551 0.178592 0.5 ] [ 0.821408 0.789551 0.5 ] [ 0.321408 0.710449 0.5 ] [ 0.678592 0.289551 0.5 ] [ 0.710449 0.678592 0.5 ] [ 0.289551 0.321408 0.5 ] [ 0.270856 0.041363 0.5 ] [ 0.041363 0.729144 0.5 ] [ 0.958637 0.270856 0.5 ] [ 0.729144 0.958637 0.5 ] [ 0.229144 0.541363 0.5 ] [ 0.770856 0.458637 0.5 ] [ 0.541363 0.770856 0.5 ] [ 0.458637 0.229144 0.5 ] [ 0.718897 0.218897 0 ] [ 0.218897 0.281103 0 ] [ 0.781103 0.718897 0 ] [ 0.281103 0.781103 0 ] [ 0.463802 0.148575 0 ] [ 0.148575 0.536198 0 ] [ 0.851425 0.463802 0 ] [ 0.536198 0.851425 0 ] [ 0.036198 0.648575 0 ] [ 0.963802 0.351425 0 ] [ 0.648575 0.963802 0 ] [ 0.351425 0.036198 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 16.66509146 "source-unit" "angstrom" } "c" { "source-value" 4.13139471 "source-unit" "angstrom" } }