forked from lijiext/lammps
38 lines
476 B
Plaintext
38 lines
476 B
Plaintext
# DATE: 2014-09-05 CONTRIBUTOR: Aidan Thompson athomps@sandia.gov CITATION: Thompson, Swiler, Trott, Foiles and Tucker, arxiv.org, 1409.3880 (2014)
|
|
|
|
# LAMMPS SNAP coefficients for Ta_Cand06A
|
|
|
|
1 31
|
|
Ta 0.5 1
|
|
-2.92477
|
|
-0.01137
|
|
-0.00775
|
|
-0.04907
|
|
-0.15047
|
|
0.09157
|
|
0.05590
|
|
0.05785
|
|
-0.11615
|
|
-0.17122
|
|
-0.10583
|
|
0.03941
|
|
-0.11284
|
|
0.03939
|
|
-0.07331
|
|
-0.06582
|
|
-0.09341
|
|
-0.10587
|
|
-0.15497
|
|
0.04820
|
|
0.00205
|
|
0.00060
|
|
-0.04898
|
|
-0.05084
|
|
-0.03371
|
|
-0.01441
|
|
-0.01501
|
|
-0.00599
|
|
-0.06373
|
|
0.03965
|
|
0.01072
|