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=41.082941622179106 stress="-4.888746316086575 -0.1986745370596084 -0.028592211855218003 -0.1986745370596084 -4.514875574719166 0.4094215660030136 -0.028592211855218003 0.4094215660030136 -3.1691776548196398" pbc="T T F" Au 0.06504129 -0.29134056 0.22277084 8.66594778 17.29657085 -29.92910178 Au 1.68584377 1.68362810 0.19581920 -10.53381891 -9.26261378 -32.65428391 Au 1.64685009 0.42259636 1.67626233 -10.22201538 -6.00745560 28.50622055 Au -0.14597521 1.70996341 1.49207130 12.08988651 -2.02650147 34.07716513