16
Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-76.51838821990933 stress="-74.03926850884744 -0.7990859641638863 -10.847623992322223 -0.7990859641638863 -69.52777928063028 1.3412104455268015 -10.847623992322223 1.3412104455268015 -72.39302381625832" pbc="F F F"
Zr       0.25978669      -0.07337285       0.06691972      -2.88476817      -1.09417565      -1.58542920 
Zr       1.68365717       1.70288723       1.58343331      -0.48553395      -2.94871477      -0.49537177 
Zr       2.79585403      -0.05190546       0.22094491       2.96700671      -3.43666427      -4.16511287 
Zr       4.73171545       1.68190327       1.32183498       5.27079259      -2.44145647       1.87927242 
Zr       0.21219253       2.93486567       0.12990665      -3.99960765       0.78705535      -5.68995788 
Zr       1.28220450       4.78278197       1.56210000       1.76386200       4.16755499      -1.00930762 
Zr       3.11816198       2.82702941       0.07034430      -0.38374975       4.31684443      -6.95222562 
Zr       4.54852473       4.55473499       1.51731189       0.92411341       1.65774365       0.28781564 
Zr       0.13661615      -0.09519967       2.87719504      -3.96609501      -4.06319012      -0.58115770 
Zr       1.17662371       1.61041876       4.26735611      -0.37668353      -3.03689653       9.90275004 
Zr       2.83533445      -0.25851365       2.80515994       2.28408218      -3.56668979       2.54493435 
Zr       4.53369179       1.52598936       4.22329650       4.31971036      -2.90949835       3.07338981 
Zr      -0.03624564       2.90583543       2.75559716      -8.55649943       3.06923283       0.71738911 
Zr       1.20261074       4.79874826       4.27290972      -0.30499980       1.85407669       2.27951867 
Zr       2.88090187       2.86136659       3.30459632       1.19060427       4.72534397      -2.31153668 
Zr       4.24645637       4.48193431       4.42001865       2.23776577       2.91943405       2.10502929