16
Lattice="4.997748521185638 0.00013709783967847365 0.0 0.0001863063336313754 6.768849609637764 0.0 -1.2980544642687887e-15 9.022571941053914e-21 36.245036402360235" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-100.53160518899274 stress="-6.0830128203174116e-06 -3.597144500540342e-06 -2.0606991878571568e-05 -3.597144500540342e-06 -2.862695550137831e-06 -1.0501289586314306e-05 -2.0606991878571568e-05 -1.0501289586314306e-05 -1.1400085497993282e-05" dipole="0.9587664600203923 -24.605501649648712 1.3438293184081536e-07" magmom=0.0 free_energy=-100.53703799116558 pbc="T T F"
Ta      -0.00709866      -0.01469912      19.46680311       0.00000000       0.00013328      -0.00282493      -0.00215601       0.00000000
Ta       2.49243028       2.00480591      16.77823311       0.00000000      -0.00013313       0.00282193       0.00215597       0.00000000
Ta      -0.00736778       3.71355844      19.54573175       0.00000000       0.00027219       0.00222309      -0.00028090       0.00000000
Ta       2.49288564       5.04539770      16.69930473       0.00000000      -0.00027206      -0.00222609       0.00028094       0.00000000
S        4.99142528       5.15560703      17.55394218       0.00000000      -0.00024696      -0.00073856      -0.00896877       0.00000000
S        2.49184109       3.60348613      18.69109432       0.00000000       0.00024711       0.00073549       0.00896880       0.00000000
S       -0.00696869       1.90078587      17.73497537       0.00000000       0.00017605       0.00048766      -0.00239055       0.00000000
S        2.49230028       0.08932174      18.51006084       0.00000000      -0.00017586      -0.00049062       0.00239055       0.00000000
S        1.01252251       5.26603884      21.24126103       0.00000000       0.00140642       0.00229502       0.00465831       0.00000000
S        1.47299637       3.49291695      15.00377439       0.00000000      -0.00140601      -0.00229810      -0.00465856       0.00000000
S        1.01735224       1.82639524      20.97539815       0.00000000       0.00142329      -0.00091516       0.00191357       0.00000000
S        1.46797876       0.16371054      15.26963883       0.00000000      -0.00142319       0.00091216      -0.00191351       0.00000000
S        3.95849164       5.26637795      21.23018111       0.00000000       0.00257998       0.00192638       0.00788672       0.00000000
S        3.52477600       3.49271502      15.01485612       0.00000000      -0.00257959      -0.00192941      -0.00788651       0.00000000
S        3.96915105       1.82667141      20.97956160       0.00000000      -0.00156558      -0.00129331       0.00149956       0.00000000
S        3.51392871       0.16357148      15.26547445       0.00000000       0.00156575       0.00129030      -0.00149962       0.00000000