18
Lattice="6.262366469237002 3.093401093820809e-05 0.0 5.9464663319176155e-05 11.45676253442282 0.0 -8.855463835934079e-16 -6.2172604524176784e-21 33.113058717843074" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-68.43004848202733 stress="5.9220019669745046e-06 5.418855371014282e-07 3.7228252448712825e-06 5.418855371014282e-07 9.203850464485287e-06 2.3036828428640158e-05 3.7228252448712825e-06 2.3036828428640158e-05 0.0001564106906450741" dipole="-20.55184740096263 0.278000506513659 9.851624180843287e-05" magmom=0.0 free_energy=-68.62143720745223 pbc="T T F"
Cu       2.43706332       0.54074039      16.92823903       0.00000000      -0.00273290      -0.00163911      -0.00145880       0.00000000
S        1.15198448       2.15950136      17.89451430       0.00000000      -0.00316381       0.00076329       0.00098135       0.00000000
S        4.35818620       0.64247237      18.32898378       0.00000000       0.00244862      -0.00293171       0.00301444       0.00000000
Cu       2.02179016       3.63577847      16.18482851       0.00000000       0.00169770       0.00286546       0.00129070       0.00000000
S        3.30664881       2.01708118      15.21852794       0.00000000       0.00386765      -0.00117250      -0.00100854       0.00000000
S        0.10083363       3.53424137      14.78391344       0.00000000      -0.00190423       0.00498837      -0.00180827       0.00000000
Se       5.36060238       2.08834554      16.55652882       0.00000000      -0.00020830       0.00010964      -0.00019750       0.00000000
Cu       5.15272025       6.26897068      16.92794171       0.00000000       0.00502405      -0.00023939      -0.00072090       0.00000000
Cu       5.56846684       9.36431340      16.18510120       0.00000000      -0.00387517       0.00172777       0.00069783       0.00000000
Se       2.22941532       7.81671380      16.55651014       0.00000000       0.00021663       0.00010469      -0.00015235       0.00000000
S        4.28302876       7.74534323      15.21908518       0.00000000      -0.00044012       0.00099062      -0.00395898       0.00000000
S        0.17603672       7.88802118      17.89396506       0.00000000      -0.00039331      -0.00162421       0.00374733       0.00000000
S        3.23182802       6.37098371      18.32883521       0.00000000      -0.00221795      -0.00587611       0.00267320       0.00000000
S        1.22683825       9.26250367      14.78404663       0.00000000       0.00160579       0.00824106      -0.00135572       0.00000000
S        3.92894475      10.29680007      17.46865346       0.00000000      -0.00017756      -0.00669195      -0.00479769       0.00000000
S        0.52999017       5.33681376      15.64438785       0.00000000      -0.00011064       0.00366455       0.00400293       0.00000000
S        3.66126913       4.56836527      17.46836353       0.00000000      -0.00103909      -0.00515975      -0.00274178       0.00000000
S        0.79746311      -0.39149462      15.64468730       0.00000000       0.00135620       0.00183269       0.00184899       0.00000000