atat-mirror/data/sqsdb/CHI_A12/sqsdb_lev=0_ac=1_g1=1_g2=1/bestsqs.out

39 lines
773 B
Plaintext

3.0789 3.0789 3.0789 90 90 90
-0.5 0.5 0.5
0.5 -0.5 0.5
0.5 0.5 -0.5
0 0 0 ac_A
0.317 0.317 0.317 ac_A
-0.317 -0.317 0.317 ac_A
-0.317 0.317 -0.317 ac_A
0.317 -0.317 -0.317 ac_A
0.089 0.089 0.278 g1_A
-0.089 -0.089 0.278 g1_A
-0.089 0.089 -0.278 g1_A
0.089 -0.089 -0.278 g1_A
0.278 0.089 0.089 g1_A
0.278 -0.089 -0.089 g1_A
-0.278 -0.089 0.089 g1_A
-0.278 0.089 -0.089 g1_A
0.089 0.278 0.089 g1_A
-0.089 0.278 -0.089 g1_A
0.089 -0.278 -0.089 g1_A
-0.089 -0.278 0.089 g1_A
0.356 0.356 0.042 g2_A
-0.356 -0.356 0.042 g2_A
-0.356 0.356 -0.042 g2_A
0.356 -0.356 -0.042 g2_A
0.042 0.356 0.356 g2_A
0.042 -0.356 -0.356 g2_A
-0.042 -0.356 0.356 g2_A
-0.042 0.356 -0.356 g2_A
0.356 0.042 0.356 g2_A
-0.356 0.042 -0.356 g2_A
0.356 -0.042 -0.356 g2_A
-0.356 -0.042 0.356 g2_A