12
Lattice="3.992538 0.0 0.0 1.996269 3.474921 0.0 0.0 0.0 17.367796" Properties=species:S:1:pos:R:3:forces:R:3 energy=-44.649200288805915 stress="-0.008461742475044998 9.268861127703617e-05 6.690843620433988e-11 9.268861127703617e-05 -0.011928324230220133 -4.77206875027007e-09 6.690843620433988e-11 -4.77206875027007e-09 -0.00918282247296869" dipole="-0.00018171893540473304 6.643908380986304e-05 -0.00025114197716308024" pbc="T T T"
Cu       3.99254000       2.38775000       1.90383000      -0.00170421       0.06420203      -0.05132735
Cu       1.99627000       0.85978000       4.34195000      -0.00204910      -0.00371255      -0.00001894
Cu       3.99254000       2.38775000       6.78007000      -0.00170421       0.06420383       0.05131227
Cu       1.99627000       1.08717000      10.58772000       0.00170423      -0.06416108      -0.05061483
Cu       3.99254000       2.61514000      13.02585000       0.00204904       0.00369804       0.00001228
Cu       1.99627000       1.08717000      15.46397000       0.00170423      -0.06416488       0.05063724
Se       3.99254000       0.07143000       1.20198000       0.00168581      -0.03801448       0.12141397
Se       3.99254000       2.03330000       4.34195000       0.00171768      -0.09321446      -0.00002691
Se       3.99254000       0.07143000       7.48191000       0.00168581      -0.03801662      -0.12137739
Se       1.99627000       3.40349000       9.88588000      -0.00168565       0.03792121       0.12266830
Se       1.99627000       1.44162000      13.02585000      -0.00171728       0.09324321      -0.00002525
Se       1.99627000       3.40349000      16.16581000      -0.00168562       0.03791865      -0.12265562