20
Lattice="7.870451 -0.062752 -0.232998 -0.066673 8.015644 0.036775 -0.790348 -0.108485 16.711192" Properties=species:S:1:pos:R:3:forces:R:3 energy=-71.8296781504526 stress="-0.0003361419870381206 0.00010177159210320929 7.356705060166776e-05 0.00010177159210320929 -0.0003744523098419584 -5.9035150768415005e-05 7.356705060166776e-05 -5.9035150768415005e-05 -6.543913555588358e-05" dipole="-0.0002038768468312895 6.69495728807638e-07 0.00038282741247599203" pbc="T T T"
I        6.41485000       0.62277000       0.82891000       0.04863714      -0.01206897      -0.03347005
I        7.23260000       4.70447000       1.56890000       0.02589640       0.09856367       0.00443324
I        3.33602000       5.75890000       2.11965000      -0.10468199       0.04973505      -0.00411173
I        2.35318000       1.69320000       2.21720000      -0.00993167      -0.05253268       0.00552268
I        0.23807000       7.51421000       4.59238000       0.05232615       0.01626827      -0.03710803
I        5.04795000       2.75586000       4.86364000      -0.09364154      -0.04206177       0.01065848
I        3.81554000       7.07794000       6.29129000      -0.03284674       0.09161239      -0.03391932
I        1.35793000       2.74986000       6.79171000       0.04872788      -0.06253583      -0.05390097
I        5.65549000       5.09454000       9.72326000      -0.04871290       0.06255776       0.05390704
I        3.19790000       0.76647000      10.22368000       0.03281629      -0.09155357       0.03388431
I        1.96548000       5.08855000      11.65132000       0.09370231       0.04211366      -0.01065074
I        6.77535000       0.33020000      11.92260000      -0.05226076      -0.01626102       0.03704752
I        4.66025000       6.15120000      14.29777000       0.00994100       0.05254717      -0.00552530
I        3.67741000       2.08549000      14.39532000       0.10462733      -0.04968907       0.00410758
I       -0.21917000       3.13993000      14.94607000      -0.02586752      -0.09851541      -0.00442972
I        0.59858000       7.22163000      15.68607000      -0.04863950       0.01208391       0.03341862
Zr       0.92164000       6.99946000       1.82101000      -0.00756069      -0.02428889       0.01028604
Zr       2.77745000       1.23554000       5.05077000       0.01963922       0.00481378       0.00157085
Zr       4.23599000       6.60888000      11.46420000      -0.01972727      -0.00497099      -0.00154084
Zr       6.09179000       0.84495000      14.69396000       0.00755652       0.02418227      -0.01017938