VASP进行分子动力学模拟时，发现CONTCAR在结构数据、速度数据后面多出一块数据，这一块数据是什么含义呢？

Ti3AlC2-orth
   1.00000000000000
    10.6715503897264519    0.0000000000000000    0.0000000000000000
     0.0000000000000000    6.1787116956974817    0.0000000000000000
     0.0000000000000000    0.0000000000000000   18.6081204211875750
   Ti   C    Al
    48    32    16
Direct
  0.0002310050115103  0.0000417158856214  0.0000002797944485
  0.2500224803436457  0.2498574995228346  0.0000285872903058
  0.9998353541027287  0.0000317068421894  0.4995919842367521
  0.2501267794354521  0.2500355875481197  0.4996044769219429
  0.0967251814392414  0.2500319615831408  0.1202931617825185
  0.3466004413104924  0.9999873290852059  0.1202723803631328
  0.1534427440166212  0.0000176630713521  0.6202738393987097
  0.4035007653470925  0.2499747035037555  0.6202546907436758
  ...
  0.4948736631633399  0.5001896710254576  0.7505218088268389
  0.7453608857607363  0.7505301479715180  0.7505822042325614  #结构

 -0.94956091E-05 -0.19794314E-05  0.48902380E-04
 -0.19150435E-05  0.89076760E-05  0.37502434E-04
  0.19044816E-04  0.16481267E-06  0.19944431E-04
  0.76819874E-05 -0.14439977E-05  0.27976326E-04
 -0.38470637E-04 -0.11696138E-05  0.47584377E-03
 -0.43906572E-04  0.35299253E-06  0.50258734E-03
  0.16354624E-04 -0.16356418E-05  0.40757488E-03
  0.24943087E-04  0.25308963E-05  0.42736787E-03
  0.38217064E-04  0.24610436E-05 -0.45370133E-03
  0.57705203E-04  0.66896381E-05 -0.43888043E-03
  ...
  0.34559961E-03 -0.27785411E-05 -0.33299109E-04
  0.33714033E-03  0.25186352E-05 -0.38191431E-04
 -0.35788603E-03  0.16997339E-05 -0.10544381E-04
 -0.34337033E-03 -0.19640223E-05 -0.18716141E-04 #速度

           1
   1.00000000000000
  0.34805485E-01  0.75137175E-02  0.00000000E+00  0.00000000E+00
  0.23011521E-03  0.41395522E-04  0.29078073E-05
  ...
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00 #预测-校正坐标

经过查询，发现这一块是predictor-corrector coordinates。见vasp-wiki.https://www.vasp.at/wiki/index.php/CONTCAR

Molecular dynamics

For molecular dynamics runs (IBRION=0) the CONTCAR file contains the actual coordinates, velocities and predictor-corrector coordinates needed as an input for the next MD-job.

• 1st block: Lattice parameters and atom coordinates.

• 2nd block: Initial velocities for atoms.

• 3rd block: Predictor-corrector coordinates.