2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.6691419820972235 free_energy=-0.6691419820972235 dipole="1.1116814764873638e-14 1.0884855876037466e-08 2.892001327714788e-08" magmom=1.3085567516478967e-14 pbc="T T T"
Cl       2.82100000       5.64200000       5.64200000       5.00000000       0.41312521
Cl       8.46300000       5.64200000       5.64200000      -5.00000000      -0.41312521
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.669248092812297 free_energy=-0.669248092812297 dipole="-5.065191374656077e-15 3.5357172238361866e-10 4.5644989883679956e-08" magmom=1.785286845762737e-15 pbc="T T T"
Cl       2.92619048       5.64200000       5.64200000       5.00000000       0.41320521
Cl       8.35780952       5.64200000       5.64200000      -5.00000000      -0.41320521
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.6695603478681187 free_energy=-0.6695603478681187 dipole="-1.3401513680029774e-14 4.1446609485144544e-08 7.923191209649764e-08" magmom=-4.582383432708e-16 pbc="T T T"
Cl       3.03138095       5.64200000       5.64200000       5.00000000       0.41320431
Cl       8.25261905       5.64200000       5.64200000      -5.00000000      -0.41320431
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.6700477100633996 free_energy=-0.6700477100633996 dipole="-2.0211351654238062e-14 2.492525214972809e-08 5.6071505498854984e-08" magmom=-2.5367858312595434e-15 pbc="T T T"
Cl       3.13657143       5.64200000       5.64200000       5.00000000       0.41319893
Cl       8.14742857       5.64200000       5.64200000      -5.00000000      -0.41319893
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.6706382596056603 free_energy=-0.6706382596056603 dipole="-9.913922247462182e-16 1.9541586247480363e-08 5.7577409379245094e-08" magmom=-8.368321746354002e-15 pbc="T T T"
Cl       3.24176190       5.64200000       5.64200000       5.00000000       0.41318601
Cl       8.04223810       5.64200000       5.64200000      -5.00000000      -0.41318601
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.6711558026311287 free_energy=-0.6711558026311287 dipole="1.3237891706098684e-14 2.5020112844144682e-08 2.8448263284693913e-08" magmom=-3.330463801054846e-15 pbc="T T T"
Cl       3.34695238       5.64200000       5.64200000       5.00000000       0.41316544
Cl       7.93704762       5.64200000       5.64200000      -5.00000000      -0.41316544
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.671230544713201 free_energy=-0.671230544713201 dipole="-4.580446660901029e-16 -6.0533841897910044e-09 2.5302429055612886e-08" magmom=1.5018553247106044e-15 pbc="T T T"
Cl       3.45214286       5.64200000       5.64200000       5.00000000       0.41312510
Cl       7.83185714       5.64200000       5.64200000      -5.00000000      -0.41312510
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.6701132644317197 free_energy=-0.6701132644317197 dipole="2.461270667354839e-15 -1.2942799598166734e-08 2.5366403493109488e-09" magmom=-3.1850976731988263e-15 pbc="T T T"
Cl       3.55733333       5.64200000       5.64200000       5.00000000       0.41305093
Cl       7.72666667       5.64200000       5.64200000      -5.00000000      -0.41305093
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.6663076419461832 free_energy=-0.6663076419461832 dipole="4.953330224706433e-15 2.4647054844212883e-08 3.0861594294492734e-08" magmom=3.216082766708479e-15 pbc="T T T"
Cl       3.66252381       5.64200000       5.64200000       5.00000000       0.41291177
Cl       7.62147619       5.64200000       5.64200000      -5.00000000      -0.41291177
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.6568947846331168 free_energy=-0.6568947846331168 dipole="-1.3626896706613912e-14 5.6050165815104906e-08 8.765877111340773e-08" magmom=-4.2396721932748986e-15 pbc="T T T"
Cl       3.76771429       5.64200000       5.64200000       5.00000000       0.41264785
Cl       7.51628571       5.64200000       5.64200000      -5.00000000      -0.41264785
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1 energy=-0.6362307456758872 free_energy=-0.6362307456758872 dipole="-6.23444412816076e-13 4.224599845528633e-08 9.766026461949354e-08" magmom=-7.0067028017747165e-15 pbc="T T T"
Cl       3.87290476       5.64200000       5.64200000       5.00000000       0.41212465
Cl       7.41109524       5.64200000       5.64200000      -5.00000000      -0.41212465
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=-0.8214194441479813 free_energy=-0.8214194441479813 dipole="3.031008398392218e-15 3.62639251524717e-08 4.853343314726535e-08" magmom=-9.59680372038913e-16 pbc="T T T"
Cl       3.97809524       5.64200000       5.64200000       5.00000000       0.36824720       0.50594916       0.00000009       0.00000032
Cl       7.30590476       5.64200000       5.64200000      -5.00000000      -0.36824720      -0.50594916       0.00000009       0.00000032
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=-0.9744416063810685 free_energy=-0.9744416063810685 dipole="-1.0811936539188394e-15 4.02433059462361e-08 3.6996328393298045e-08" magmom=1.902850737514897e-15 pbc="T T T"
Cl       4.08328571       5.64200000       5.64200000       5.00000000       0.32032644       0.98640219       0.00000000       0.00000117
Cl       7.20071429       5.64200000       5.64200000      -5.00000000      -0.32032644      -0.98640219       0.00000000       0.00000117
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=-1.2775831370374562 free_energy=-1.2775831370374562 dipole="1.0675304429229721e-12 2.893539756435728e-08 6.278255714709154e-09" magmom=-4.415183980536728e-15 pbc="T T T"
Cl       4.18847619       5.64200000       5.64200000       5.00000000       0.18936843       2.02970072       0.00000061       0.00000048
Cl       7.09552381       5.64200000       5.64200000      -5.00000000      -0.18936843      -2.02970072       0.00000057      -0.00000119
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=-1.8057105218266352 free_energy=-1.8057105218266352 dipole="-3.4608418034857716e-11 1.152462814085366e-08 2.0075345434954526e-08" magmom=-5.3189152213278416e-15 pbc="T T T"
Cl       4.29366667       5.64200000       5.64200000       5.00000000      -0.00050656       2.81726869      -0.00000016       0.00000008
Cl       6.99033333       5.64200000       5.64200000      -5.00000000       0.00050656      -2.81726869      -0.00000017      -0.00000051
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=-2.427495082323482 free_energy=-2.427495082323482 dipole="-1.0495821921180604e-11 2.578891299581512e-08 4.920262866209571e-08" magmom=6.148806719500548e-16 pbc="T T T"
Cl       4.39885714       5.64200000       5.64200000       5.00000000      -0.00000078       3.08800480       0.00000020       0.00000033
Cl       6.88514286       5.64200000       5.64200000      -5.00000000       0.00000078      -3.08800480       0.00000020       0.00000040
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=-3.052013389867105 free_energy=-3.052013389867105 dipole="-3.428500183860969e-14 2.0336666886586886e-08 4.418968059606245e-08" magmom=1.0258199308851289e-14 pbc="T T T"
Cl       4.50404762       5.64200000       5.64200000       5.00000000       0.00000003       2.73735610      -0.00000002      -0.00000016
Cl       6.77995238       5.64200000       5.64200000      -5.00000000      -0.00000003      -2.73735610      -0.00000002      -0.00000016
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=-3.4764220153807246 free_energy=-3.4764220153807246 dipole="1.508837559325854e-15 1.3225649213312095e-08 2.885772677479711e-08" magmom=7.844884745995615e-15 pbc="T T T"
Cl       4.60923810       5.64200000       5.64200000       5.00000000       0.00000000       0.95062936       0.00000003       0.00000012
Cl       6.67476190       5.64200000       5.64200000      -5.00000000      -0.00000000      -0.95062936       0.00000003       0.00000012
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=-3.223949531641405 free_energy=-3.223949531641405 dipole="-3.217189467511924e-15 1.7808263039149192e-08 3.43383904853661e-08" magmom=5.365221205814371e-16 pbc="T T T"
Cl       4.71442857       5.64200000       5.64200000       5.00000000       0.00000000      -4.16695098       0.00000021       0.00000044
Cl       6.56957143       5.64200000       5.64200000      -5.00000000      -0.00000000       4.16695098       0.00000021       0.00000044
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=-1.1700250836228716 free_energy=-1.1700250836228716 dipole="3.449011404357495e-15 2.0746956339343378e-08 4.084945998710388e-08" magmom=-5.1685190641446925e-15 pbc="T T T"
Cl       4.81961905       5.64200000       5.64200000       5.00000000      -0.00000000     -17.37941950      -0.00000003      -0.00000007
Cl       6.46438095       5.64200000       5.64200000      -5.00000000       0.00000000      17.37941950      -0.00000003      -0.00000007
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=5.45971214912991 free_energy=5.45971214912991 dipole="1.3722143897742859e-15 1.823162783844328e-08 3.776677923261878e-08" magmom=-3.1652456091193807e-15 pbc="T T T"
Cl       4.92480952       5.64200000       5.64200000       5.00000000       0.00000000     -50.81606443      -0.00000039      -0.00000065
Cl       6.35919048       5.64200000       5.64200000      -5.00000000      -0.00000000      50.81606443      -0.00000039      -0.00000065
2
Lattice="11.284 0.0 0.0 0.0 11.285 0.0 0.0 0.0 11.286000000000001" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:magmoms:R:1:forces:R:3 energy=23.83541143475322 free_energy=23.83541143475322 dipole="-1.6827525271393086e-14 2.511662752649596e-09 5.042134828448459e-09" magmom=6.230988124242401e-15 pbc="T T T"
Cl       5.03000000       5.64200000       5.64200000       5.00000000      -0.00000000    -137.43831052      -0.00000001       0.00000018
Cl       6.25400000       5.64200000       5.64200000      -5.00000000       0.00000000     137.43831052      -0.00000001       0.00000018