forked from lijiext/lammps
20 lines
1.5 KiB
Plaintext
20 lines
1.5 KiB
Plaintext
|
# DATE: 2016-05-06 CONTRIBUTOR: German Samolyuk, samolyuk@gmail.com CITATION: ???
|
||
|
|
# Gao-Weber parameters for various elements and mixtures
|
||
|
|
# multiple entries can be added to this file, LAMMPS reads the ones it needs
|
||
|
|
# these entries are in LAMMPS "metal" units:
|
||
|
|
|
||
|
|
# format of a single entry (one or more lines):
|
||
|
|
# element 1, element 2, element 3,
|
||
|
|
# m, gamma, lambda3, c, d, h, n, beta, lambda2, X_ij*B, R, D, lambda1, A
|
||
|
|
|
||
|
|
#E1 E2 E3 m gamma lambda3 c d h n beta lambda2 B R D lambda1 A
|
||
|
|
|
||
|
|
Si Si Si 1 0.013318 0 14 2.1 -1 0.78000 1 1.80821400248640 632.658058300867 2.35 0.15 2.38684248328205 1708.79738703139
|
||
|
|
Si Si C 1 0.013318 0 14 2.1 -1 0.78000 1 1.80821400248640 632.658058300867 2.35 0.15 2.38684248328205 1708.79738703139
|
||
|
|
Si C Si 1 0.013318 0 14 2.1 -1 0.78000 1 1.96859970919818 428.946015420752 2.35 0.15 3.03361215187440 1820.05673775234
|
||
|
|
C Si Si 1 0.011304 0 19 2.5 -1 0.80468 1 1.96859970919818 428.946015420752 2.35 0.15 3.03361215187440 1820.05673775234
|
||
|
|
C C Si 1 0.011304 0 19 2.5 -1 0.80469 1 1.76776695296637 203.208547714849 2.35 0.15 2.54558441227157 458.510465798439
|
||
|
|
C Si C 1 0.011304 0 19 2.5 -1 0.80469 1 1.96859970919818 428.946015420752 2.35 0.15 3.03361215187440 1820.05673775234
|
||
|
|
Si C C 1 0.013318 0 14 2.1 -1 0.78000 1 1.96859970919818 428.946015420752 2.35 0.15 3.03361215187440 1820.05673775234
|
||
|
|
C C C 1 0.011304 0 19 2.5 -1 0.80469 1 1.76776695296637 203.208547714849 2.35 0.15 2.54558441227157 458.510465798439
|