16 Lattice="8.712737170323656 -4.262866574447903e-17 -4.4812544727240956e-17 4.2241519605766575e-16 6.4627012676375655 2.5064839633065666e-07 4.0332028647403207e-16 -6.335394032333481e-08 6.5587516828276495" Properties=species:S:1:pos:R:3:forces:R:3 energy=532.0708106988825 stress="0.00010121465082862737 0.0 0.0 0.0 5.7718115548867524e-05 1.620290460385772e-08 0.0 1.620290460385772e-08 0.00011367059050354197" pbc="T T T" Sn 4.35636859 1.36438850 3.20787383 -0.00000000 -0.00166909 0.00009836 Sn 0.00000000 5.09826326 -0.07149900 0.00000000 0.00165052 0.00007873 Ba 4.35636859 4.71144880 6.39953852 0.00000000 0.00087277 0.00275432 Ba 0.00000000 1.75120304 3.12016021 0.00000000 -0.00087211 0.00275682 Cu 6.51283817 4.48015641 3.34258122 -0.00229829 0.00024097 -0.00212900 Cu 2.19989900 4.48015641 3.34258122 0.00229829 0.00024097 -0.00212900 Cu 6.55626775 1.98249568 6.62195261 0.00229936 -0.00024117 -0.00212913 Cu 2.15646942 1.98249568 6.62195261 -0.00229936 -0.00024117 -0.00212913 S 4.35636859 1.49165263 0.77442889 0.00000000 -0.00180375 -0.00027486 S 0.00000000 4.97099946 4.05380557 0.00000000 0.00180309 -0.00025600 S 4.35636859 5.42339565 3.41591945 0.00000000 0.00802442 0.00034619 S 0.00000000 1.03925493 0.13654246 0.00000000 -0.00801113 0.00034955 S 6.94364416 3.97077076 1.14397760 0.00284109 -0.00450984 0.00065576 S 1.76909301 3.97077076 1.14397760 -0.00284109 -0.00450984 0.00065576 S 6.12546185 2.49187888 4.42335159 -0.00284155 0.00451493 0.00065153 S 2.58727532 2.49187888 4.42335159 0.00284155 0.00451493 0.00065153