mwinterer@nppt-40:~/doc/sno2_rmc/2022/new/3p/es/second/coordinates$ coord
 matrix algebra for Reverse Monte Carlo
  
 version 11/26/14mw
  
 opened file coord.par
 closed file coord.par
  
 INPUT
  
 alatt=    4.745700    
 blatt=    4.745700    
 clatt=    3.194500    
 hn           11
 kn           11
 ln           16
 alpha=    1.570796      alphad=    90.00000    
 beta=    1.570796      betad=    90.00000    
 gamma=    1.570796      gammad=    90.00000    
  
 atoms in asymmetric unit: 
  
           1           1  0.0000000E+00  0.0000000E+00  0.0000000E+00
           2           1  0.5000000      0.5000000      0.5000000    
           3           2  0.3053000      0.3053000      0.0000000E+00
           4           2  0.6947000      0.6947000      0.0000000E+00
           5           2  0.1947000      0.8053000      0.5000000    
           6           2  0.8053000      0.1947000      0.5000000    
  
 check for inversity: 
   1.00000       0.00000       0.00000    
   0.00000       1.00000       0.00000    
  0.355271E-14   0.00000       1.00000    
  
 det=   1.9400702E+10  volume=    139286.4    
  
  
   52.20270      0.0000000E+00  0.0000000E+00
 -2.2818524E-06   52.20270      0.0000000E+00
 -2.2341765E-06 -2.2341767E-06   51.11200    
  
  
   52.20270     -2.2818524E-06  0.0000000E+00
  0.0000000E+00   52.20270     -2.2341767E-06
  0.0000000E+00  0.0000000E+00   51.11200    
  
  
   2725.12     -0.119119E-03   0.00000    
 -0.119119E-03   2725.12     -0.116630E-03
 -0.116630E-03 -0.116630E-03   2612.44    
  
   2725.122     -1.1911885E-04  0.0000000E+00
 -1.1911885E-04   2725.122     -1.1663005E-04
 -1.1663004E-04 -1.1663004E-04   2612.436    
 generated        11616  lattice points
  
 RESULTS
  
 volume=    139286.4    
  
 hmat:
   52.20270      0.0000000E+00  0.0000000E+00
 -2.2818524E-06   52.20270      0.0000000E+00
 -2.2341765E-06 -2.2341767E-06   51.11200    
  
 hinv:
  1.9156098E-02  0.0000000E+00  0.0000000E+00
  8.3733964E-10  1.9156098E-02  0.0000000E+00
  8.3733981E-10  8.3733981E-10  1.9564878E-02
  
 gmet:
   2725.122     -1.1911885E-04 -1.1663004E-04
 -1.1911885E-04   2725.122     -1.1663004E-04
 -1.1663004E-04 -1.1663004E-04   2612.436    

