20
Lattice="-5.2314392023115355 -3.019760728034706 0.0 -0.02733304105711186 6.086841817758246 0.0 -1.40437339466474e-16 1.436583553058821e-18 24.39789237397295" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-152.55427719495125 stress="9.541398097233303e-06 -1.5906725068666e-05 3.934726851142711e-05 -1.5906725068666e-05 1.5461081424601617e-06 6.50609331851677e-05 3.934726851142711e-05 6.50609331851677e-05 9.347330165262912e-05" dipole="0.5735692488344036 -4.462592617656923 0.010063851973332016" magmom=0.0 free_energy=-152.57502492671506 pbc="T T F"
Nb      -3.26976718       0.14334493       9.30030356        0       0.00000000      -0.00335586       0.00135030      -0.00294257       0.00000000
S       -1.79304660       0.99961789      10.96612945        0       0.00000000       0.00776137       0.00193632      -0.00531572       0.00000000
S       -3.58453056       2.05900942       7.85876398        0       0.00000000       0.00017837       0.00267240       0.00123913       0.00000000
Nb      -1.55129178       1.14147533      14.99707938        1       0.00000000       0.00085256      -0.00302411      -0.00126706       0.00000000
S       -3.48999627       0.01992208      16.33620617        1       0.00000000      -0.00162893       0.00107841      -0.00284015       0.00000000
S       -3.47990078       1.79473177      13.60251774        1       0.00000000      -0.00383011       0.00348157       0.00486261       0.00000000
Nb      -0.26704741       0.18494263       9.26351431        0       0.00000000      -0.00389892       0.00141616       0.00138656       0.00000000
S       -3.47777150      -2.04909475      10.80326991        0       0.00000000       0.00001173      -0.00171876      -0.00487297       0.00000000
S        0.05702414       2.06548879       7.78140964        0       0.00000000       0.00189458       0.00269191      -0.00330492       0.00000000
Nb      -3.49351175      -2.19488158      14.98147046        1       0.00000000      -0.00604788       0.00463903       0.00172768       0.00000000
S       -0.00052657      -0.00576289      16.53694625        1       0.00000000      -0.00121980       0.00135114       0.00424800       0.00000000
S        0.21035676       2.15529043      13.52184529        1       0.00000000       0.00158313      -0.00054828       0.00024712       0.00000000
Nb      -1.73500388       2.72620378       9.26163387        0       0.00000000       0.00096834      -0.00235892       0.00858511       0.00000000
S       -0.04586034       4.08277492      10.80266287        0       0.00000000       0.00869936       0.00328109      -0.00322367       0.00000000
S       -1.76770450      -1.08388011       7.85751174        0       0.00000000      -0.00048434       0.00323704       0.00260059       0.00000000
Nb      -0.18010676       4.14164054      14.98160250        1       0.00000000       0.00767356      -0.00338068      -0.00121528       0.00000000
S       -1.76789421       3.05496737      16.53957034        1       0.00000000      -0.00196324      -0.00171496       0.00152039       0.00000000
S       -1.94707065      -0.85761589      13.60405601        1       0.00000000      -0.00082059      -0.00452940       0.00002015       0.00000000
Nb       0.03800732      -0.03102077      12.51475462        2       0.00000000      -0.00214678      -0.00719546       0.00096489       0.00000000
Nb      -1.76922478       3.10069950      12.51641754        2       0.00000000      -0.00425510      -0.00268196      -0.00260804       0.00000000