Ficheiro: /home/obabilonia/rea de Trabca2-Metano&Metanol/d1/BDT2.

txt
*
1
14
1
1
2
2
3
4
4
3
5
6
6
5
7
7

na
16
16
6
6
6
6
6
6
1
1
1
1
1
1

X
2.640344
3.092213
2.805018
2.927292
1.613964
1.674503
4.057836
4.118375
0.623968
0.728174
5.004165
5.108283
4.024934
1.707717

Y
3.258497
-3.258430
1.426897
-1.426941
0.654017
-0.757071
0.756975
-0.654123
1.151783
-1.334461
1.334383
-1.151976
3.535731
-3.536133

Z
-0.000007
-0.000004
-0.000003
-0.000002
-0.000002
-0.000001
-0.000002
-0.000001
-0.000001
0.000000
-0.000002
-0.000001
-0.000001
-0.000001

(cargas)
-0.362612
-0.362714
0.082254
0.082481
-0.084206
-0.179898
-0.179796
-0.084328
0.160793
0.119843
0.119831
0.160819
0.263760
0.263773

eps
0.4967
0.4967
0.066
0.066
0.070
0.070
0.070
0.070
0.030
0.030
0.030
0.030
0.030
0.030

sigma
3.400
3.400
3.550
3.550
3.550
3.550
3.550
3.550
2.420
2.420
2.420
2.420
2.420
2.420

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