Cu1CONBOp1.out
         0         0         3
timestep         1         3         0         0    0.000100
`$M     
  -2.1993610   1.1569950  -0.9201510
C       
  -1.5284320  -0.0182760   0.4965040
O       
  -0.8138140  -0.9498490   0.6421480
timestep        21         3         0         0    0.000100
`$M     
  -2.2148990   1.1739980  -0.9094710
C       
  -1.5023630  -0.0394410   0.4472480
O       
  -0.8243450  -0.9456870   0.6807240
timestep        41         3         0         0    0.000100
`$M     
  -2.2431470   1.2026280  -0.8803460
C       
  -1.4523750  -0.0768020   0.3390700
O       
  -0.8460850  -0.9369560   0.7597770
timestep        61         3         0         0    0.000100
`$M     
  -2.2591390   1.2162090  -0.8526740
C       
  -1.4163710  -0.1028500   0.2574900
O       
  -0.8660970  -0.9244890   0.8136850
timestep        81         3         0         0    0.000100
`$M     
  -2.2670730   1.2225940  -0.8374450
C       
  -1.3976260  -0.1161550   0.2139240
O       
  -0.8769090  -0.9175700   0.8420220
timestep       101         3         0         0    0.000100
`$M     
  -2.2679660   1.2237770  -0.8377060
C       
  -1.3971490  -0.1163740   0.2123140
O       
  -0.8764920  -0.9185330   0.8438930
timestep       121         3         0         0    0.000100
`$M     
  -2.2683280   1.2244090  -0.8384550
C       
  -1.3978020  -0.1155630   0.2123500
O       
  -0.8754760  -0.9199760   0.8446050
timestep       141         3         0         0    0.000100
`$M     
  -2.2686320   1.2248420  -0.8386770
C       
  -1.3976340  -0.1157320   0.2121690
O       
  -0.8753410  -0.9202400   0.8450090
timestep       161         3         0         0    0.000100
`$M     
  -2.2686320   1.2248420  -0.8386770
C       
  -1.3976340  -0.1157320   0.2121690
O       
  -0.8753410  -0.9202400   0.8450090