lammps/potentials/Li_Zuo_JPCA2020.snapcoeff

62 lines
1.5 KiB
Plaintext

# DATE: 2020-01-31 CONTRIBUTOR: Yunxing Zuo <y9zuo@eng.ucsd.edu> CITATION: Y. Zuo, C. Chen, X, Li, Z. Deng, Y. Chen, J. Behler, G. Csányi, A. V. Shapeev, A. P. Thompson, M. A. Wood, S. P. Ong, "Performance and Cost Assessment of Machine Learning Interatomic Potentials" J. Phys. Chem. A 124, 4, 731-745 (2020)
# Generated by Materials Virtual Lab
1 56
Li 0.5 1
-3.442655383555455
0.002861973941007705
0.004079224321860258
0.018372219281925357
0.006266714658779952
0.05618612237239306
0.006520835666452365
0.021827129976114024
-0.001962995177823815
0.02813335855613673
0.01773107340112854
0.03496164804388563
0.017843132187232384
0.011780475836380925
0.00101257736816995
0.018060843507619457
0.0035595399079857894
0.027284801481953426
0.020388928571015014
0.009421863028676985
0.0030028032539420654
0.0036825485649799004
0.0030454642536342546
-0.0004393726087160519
0.010163380126075311
0.003392641868555307
0.009824913673020763
0.011470421699338951
0.0029596154637689994
0.006519822857684111
0.004250563868727875
0.0008264411531733965
-0.0004981577948131363
-0.0015196499400890514
0.004916595803865858
0.00018592836139429483
0.0013054776042889598
0.006039878353203354
0.0024351853950736213
0.00011609194446605964
-0.000863127422455777
0.0006783840924705024
8.411131855335329e-05
-0.0011263789721868075
0.0029001479714427306
-0.0015453105505531712
0.0029405862510894568
0.00048098035310471104
-7.617563227253765e-05
0.0006160452246642837
-3.2291338390346824e-05
-0.00041312136845354785
-0.0004771451237961964
0.0004825319898070328
-0.00029563689133977385
0.0002943500410651674