14
Lattice="9.893615 -0.000147 0.0 -4.946935 8.568582 0.0 0.0 0.0 3.552928" Properties=species:S:1:pos:R:3:forces:R:3 energy=-85.08009580284768 stress="-0.005395930744190293 -0.00012054856502375199 1.1523880164377944e-10 -0.00012054856502375199 -0.005453535854015557 2.000776210785556e-10 1.1523880164377944e-10 2.000776210785556e-10 -0.006426390867548603" pbc="T T T"
Se       3.21999000       0.43302000       0.88823000      -0.06517924       0.01771690       0.00002916
Se       7.90841000       2.57225000       0.88823000       0.01562673      -0.06581933       0.00002918
Se       3.71191000       5.56307000       0.88823000       0.04794208       0.04582842       0.00002916
Se      -0.00006000       5.71234000       0.88823000      -0.00014241       0.00185913       0.00007196
Se       4.94674000       2.85610000       2.66470000       0.00018089      -0.00194654      -0.00007197
Se       1.23477000       3.00537000       2.66470000      -0.04798348      -0.04588126      -0.00002916
Se      -2.96173000       5.99619000       2.66470000      -0.01560780       0.06579871      -0.00002917
Se       1.72669000       8.13541000       2.66470000       0.06526401      -0.01767724      -0.00002916
Ti       5.69238000       1.11062000       0.88823000       0.02249243       0.00023291       0.00004800
Ti       3.06235000       3.08311000       0.88823000      -0.00957010      -0.01967173       0.00004802
Ti       6.08552000       4.37451000       0.88823000      -0.01407395       0.01866167       0.00004802
Ti      -1.13884000       4.19393000       2.66470000       0.01407564      -0.01868591      -0.00004803
Ti       1.88433000       5.48532000       2.66470000       0.00958973       0.01971523      -0.00004802
Ti      -0.74569000       7.45781000       2.66470000      -0.02258585      -0.00015968      -0.00004800