12
Lattice="3.779329 0.0 0.0 1.889664 3.288329 0.0 0.0 0.0 16.343914" Properties=species:S:1:pos:R:3:forces:R:3 energy=-49.07162066210579 stress="-0.01208265419020074 7.155762468812772e-05 6.64061591980908e-08 7.155762468812772e-05 -0.012652385777489682 6.138815253579716e-08 6.64061591980908e-08 6.138815253579716e-08 -0.013494350798954564" dipole="0.00018704904377982707 -6.434741615603185e-05 0.00012697003865557222" pbc="T T T"
Cu       3.77933000       2.21142000       1.75160000      -0.00285846       0.00726672       0.00657522
Cu       1.88966000       0.90810000       4.08598000       0.00336416      -0.00942703      -0.00008356
Cu       3.77933000       2.21142000       6.42035000      -0.00285911       0.00727217      -0.00654385
Cu       1.88966000       1.07691000       9.92356000       0.00284845      -0.00728511       0.00626955
Cu       3.77933000       2.38023000      12.25794000      -0.00334465       0.00942545       0.00007821
Cu       1.88966000       1.07691000      14.59231000       0.00284770      -0.00728467      -0.00623116
S        3.77933000       0.01630000       1.05171000       0.00203601       0.01471619       0.06681420
S        3.77933000       2.01264000       4.08598000      -0.00320032      -0.01494731      -0.00011189
S        3.77933000       0.01630000       7.12025000       0.00202935       0.01470153      -0.06693491
S        1.88966000       3.27203000       9.22366000      -0.00205296      -0.01470931       0.06648296
S        1.88966000       1.27569000      12.25794000       0.00326257       0.01494921       0.00004497
S        1.88966000       3.27203000      15.29221000      -0.00205946      -0.01472201      -0.06635833