16
Lattice="9.0709078740361 -4.929457360471468e-17 -5.70991374941099e-17 4.3539020742488656e-16 6.414804781079989 -3.0415518707946867e-05 4.112264586199736e-16 -3.0127526311290792e-05 6.636271018567864" Properties=species:S:1:pos:R:3:forces:R:3 energy=636.7632528561411 stress="-6.2698222644532126e-06 0.0 0.0 0.0 3.7986564931052983e-06 1.7275514397818896e-08 0.0 1.7275514397818896e-08 3.023116223265312e-05" pbc="T T T"
Si       4.53545394       1.35414500       3.24484589      -0.00000000      -0.00771632      -0.00016353
Si       0.00000000       5.06065166      -0.07328755       0.00000000       0.00771873      -0.00016249
Ba       4.53545394       4.93295535       6.47347040       0.00000000      -0.00033935       0.00427148
Ba       0.00000000       1.48175026       3.15539290       0.00000000       0.00032971       0.00427936
Cu       6.80137802       4.46805743       3.35391420      -0.00464808      -0.00176737      -0.00242821
Cu       2.26952985       4.46805743       3.35391420       0.00464808      -0.00176737      -0.00242821
Cu       6.80498609       1.94671877       6.67204228       0.00464851       0.00176857      -0.00243388
Cu       2.26592178       1.94671877       6.67204228      -0.00464851       0.00176857      -0.00243388
Se       4.53545394       1.72075960       0.96302130       0.00000000      -0.00336859      -0.00170785
Se       0.00000000       4.69399454       4.28116240       0.00000000       0.00336151      -0.00170506
Se       4.53545394       5.48090671       3.35659714       0.00000000      -0.00226541       0.00211906
Se       0.00000000       0.93389393       0.03850249       0.00000000       0.00227098       0.00211963
Se       7.30139605       4.10403882       1.00904169       0.00561692      -0.00497291       0.00021716
Se       1.76951182       4.10403882       1.00904169      -0.00561692      -0.00497291       0.00021716
Se       6.30496156       2.31076913       4.32717742      -0.00561855       0.00497612       0.00021965
Se       2.76594631       2.31076913       4.32717742       0.00561855       0.00497612       0.00021965