4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-2.80251955252 stress="1.5263181580805951 -0.20682404416859212 -0.2713365721401015 -0.20682404416859212 0.5229684217827318 -0.3583404140241776 -0.2713365721401015 -0.3583404140241776 0.3827732413381862" pbc="F F F" Cu -0.08261918 0.18193258 0.14803915 1.42194386 0.17025099 -0.52161680 H 1.26416454 1.64526935 0.03806039 -2.32912655 -0.98067641 1.47971284 H 1.57797747 0.26599513 1.67918122 -2.07804614 1.34395176 -0.50117378 Cu 0.05957798 1.66192607 1.49509235 2.98522883 -0.53352634 -0.45692227