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:Z:I:1:forces:R:3 energy=745.7420396833434 pbc="F F F"
Sc      -0.29705326      -0.10530978       0.16801926       21     -67.63912225     -61.98375420    -139.49477745 
Sc       1.58416775       1.23437641       1.62717527       21     319.04912270     483.57198582    -217.75963872 
Sc       2.90326983      -0.19066039       0.12974955       21     157.72386036    -243.76687518    -256.84155834 
Sc       4.29361759       1.73779642       1.53126279       21     562.43434415    -477.94927942    -533.47143360 
Sc      -0.03235860       2.79374818      -0.04915987       21     -49.02774109      34.00366869     -92.77259839 
Sc       1.55163338       4.75498247       1.50956644       21    -195.84653236     266.53830817     183.94677858 
Sc       2.89645678       3.40602834      -0.02474803       21      93.17587380    -183.87717429    -365.49288813 
Sc       4.59083676       4.72263292       1.52917126       21     145.30819218     144.31562606     -15.35000817 
Sc       0.02233527      -0.03198105       2.81500195       21    -471.14315009    -426.05960894     424.40644498 
Sc       1.52680655       1.53105581       4.61525091       21     -17.26546955     -36.62179047     127.34053171 
Sc       3.21786003      -0.28075821       3.13877718       21      28.62343014    -151.34814441      48.53631615 
Sc       4.53903475       1.74951227       4.47752621       21     424.99468768    -391.94367115     456.75742768 
Sc      -0.10280370       2.83583834       2.73803425       21    -193.04641804     104.09936830      83.45987931 
Sc       1.36215293       4.45124715       4.51294815       21     -27.79799675      85.45406598      79.26759722 
Sc       3.21382187       3.06135996       3.06875982       21    -851.32097438     664.13800359      65.66157980 
Sc       4.68314388       4.52640555       4.49870126       21     141.77789350     191.42927144     151.80634739