Dear Lammpsers,
I am permanently facing with this error. this is my data file. do you have any idea what is the problem?!
LAMMPS 64-bit 20170127 (1st line of file)
63 atoms
0 3.7845 xlo xhi
0 3.7845 ylo yhi
0 9.5143 zlo zhi
Masses
1 47.86
2 15.99
Atoms
1 Ti -1.098 0 0 0
2 Ti 2.196 0 0 9.5143
3 Ti 2.196 0 3.7845 0
4 Ti 2.196 0 3.7845 9.5143
5 Ti 2.196 3.7845 0 0
6 Ti 2.196 3.7845 0 9.5143
7 Ti 2.196 3.7845 3.7845 0
8 Ti 2.196 3.7845 3.7845 9.5143
9 Ti 2.196 1.89225 1.89225 4.75715
10 Ti 2.196 0 1.89225 2.378575
11 Ti 2.196 3.7845 1.89225 2.378575
12 Ti 2.196 1.89225 0 7.135725
13 Ti 2.196 1.89225 3.7845 7.135725
14 O -1.098 0 0 1.979545
15 O -1.098 0 3.7845 1.979545
16 O -1.098 3.7845 0 1.979545
17 O -1.098 3.7845 3.7845 1.979545
18 O -1.098 1.89225 1.89225 6.736696
19 O -1.098 0 1.89225 4.35812
20 O -1.098 3.7845 1.89225 4.35812
21 O -1.098 1.89225 0 9.115271
22 O -1.098 1.89225 3.7845 9.115271
23 O -1.098 1.89225 0 5.15618
24 O -1.098 1.89225 3.7845 5.15618
25 O -1.098 0 1.89225 0.39903
26 O -1.098 3.7845 1.89225 0.39903
27 O -1.098 1.89225 1.89225 2.777605
28 O -1.098 0 0 7.534755
29 O -1.098 0 3.7845 7.534755
30 O -1.098 3.7845 0 7.534755
31 O -1.098 3.7845 3.7845 7.534755
32 O -1.098 -1.89225 0 -0.39903
33 O -1.098 0 -1.89225 0.39903
34 O -1.098 0 0 -1.979546
35 O -1.098 1.89225 0 -0.39903
36 O -1.098 -1.89225 0 9.115271
37 O -1.098 0 -1.89225 9.91333
38 O -1.098 0 0 11.493846
39 O -1.098 0 1.89225 9.91333
40 O -1.098 -1.89225 3.7845 -0.39903
41 O -1.098 0 3.7845 -1.979546
42 O -1.098 0 5.67675 0.39903
43 O -1.098 1.89225 3.7845 -0.39903
44 O -1.098 -1.89225 3.7845 9.115271
45 O -1.098 0 3.7845 11.493846
46 O -1.098 0 5.67675 9.91333
47 O -1.098 3.7845 -1.89225 0.39903
48 O -1.098 3.7845 0 -1.979546
49 O -1.098 5.67675 0 -0.39903
50 O -1.098 3.7845 -1.89225 9.91333
51 O -1.098 3.7845 0 11.493846
52 O -1.098 3.7845 1.89225 9.91333
53 O -1.098 5.67675 0 9.115271
54 O -1.098 3.7845 3.7845 -1.979546
55 O -1.098 3.7845 5.67675 0.39903
56 O -1.098 5.67675 3.7845 -0.39903
57 O -1.098 3.7845 3.7845 11.493846
58 O -1.098 3.7845 5.67675 9.91333
59 O -1.098 5.67675 3.7845 9.115271
60 O -1.098 -1.89225 1.89225 2.777605
61 O -1.098 5.67675 1.89225 2.777605
62 O -1.098 1.89225 -1.89225 6.736696
63 O -1.098 1.89225 5.67675 6.736696
Yours sincerely,