element(s):
['C']
AFLOW prototype label:
A_cI16_229_f
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8764', '0.16261302']
model name:
MEAM_LAMMPS_Wagner_2007_SiC__MO_430846853065_002
==== Building ASE atoms object with: ====
representative atom symbols = ['C']
representative atom coordinates = [[0.16261302 0.16261302 0.16261302]]
spacegroup = 229
cell = [[4.8764, 0, 0], [0, 4.8764, 0], [0, 0, 4.8764]]
=========================================
Step Time Energy fmax
BFGS: 0 16:42:40 -58.702047 41.476182
BFGS: 1 16:42:40 -70.416358 9.052113
BFGS: 2 16:42:40 -72.035459 8.677172
BFGS: 3 16:42:40 -73.421077 8.323099
BFGS: 4 16:42:40 -74.697485 7.979703
BFGS: 5 16:42:40 -75.899407 7.644904
BFGS: 6 16:42:40 -77.040436 7.318153
BFGS: 7 16:42:40 -78.127129 6.999253
BFGS: 8 16:42:40 -79.163221 6.688081
BFGS: 9 16:42:40 -80.151183 6.384518
BFGS: 10 16:42:40 -81.092860 6.088434
BFGS: 11 16:42:40 -81.989769 5.799693
BFGS: 12 16:42:40 -82.843237 5.518154
BFGS: 13 16:42:40 -83.654481 5.243674
BFGS: 14 16:42:40 -84.424640 4.976110
BFGS: 15 16:42:41 -85.154804 4.715321
BFGS: 16 16:42:41 -85.846020 4.461166
BFGS: 17 16:42:41 -86.499306 4.213507
BFGS: 18 16:42:41 -87.115651 3.972210
BFGS: 19 16:42:41 -87.696018 3.737141
BFGS: 20 16:42:41 -88.241349 3.508169
BFGS: 21 16:42:41 -88.752566 3.285166
BFGS: 22 16:42:41 -89.230567 3.068008
BFGS: 23 16:42:41 -89.676233 2.856571
BFGS: 24 16:42:41 -90.090427 2.650735
BFGS: 25 16:42:41 -90.473992 2.450383
BFGS: 26 16:42:41 -90.827754 2.255399
BFGS: 27 16:42:41 -91.152520 2.065671
BFGS: 28 16:42:41 -91.449083 1.881087
BFGS: 29 16:42:41 -91.718218 1.701541
BFGS: 30 16:42:41 -91.960685 1.526928
BFGS: 31 16:42:42 -92.177227 1.357144
BFGS: 32 16:42:42 -92.368574 1.192090
BFGS: 33 16:42:42 -92.535439 1.031669
BFGS: 34 16:42:42 -92.678525 0.875787
BFGS: 35 16:42:42 -92.798519 0.724354
BFGS: 36 16:42:42 -92.896096 0.577285
BFGS: 37 16:42:42 -92.971921 0.434499
BFGS: 38 16:42:42 -93.026650 0.295927
BFGS: 39 16:42:42 -93.060934 0.161519
BFGS: 40 16:42:42 -93.075435 0.071294
BFGS: 41 16:42:42 -93.076090 0.067122
BFGS: 42 16:42:42 -93.076133 0.057197
BFGS: 43 16:42:43 -93.076238 0.008020
BFGS: 44 16:42:43 -93.076243 0.000731
BFGS: 45 16:42:43 -93.076244 0.000131
BFGS: 46 16:42:43 -93.076244 0.000011
BFGS: 47 16:42:43 -93.076244 0.000000
BFGS: 48 16:42:43 -93.076244 0.000000
Minimization converged after 48 steps.
Maximum force component: 2.388578871729645e-10 eV/Angstrom
Maximum stress component: 5.291072982266091e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis = [[0.15787243 0.15787243 0.15787243]
[0.84212757 0.84212757 0.15787243]
[0.84212757 0.15787243 0.84212757]
[0.15787243 0.84212757 0.84212757]
[0.15787243 0.15787243 0.84212757]
[0.84212757 0.84212757 0.84212757]
[0.15787243 0.84212757 0.15787243]
[0.84212757 0.15787243 0.15787243]
[0.65787243 0.65787243 0.65787243]
[0.34212757 0.34212757 0.65787243]
[0.34212757 0.65787243 0.34212757]
[0.65787243 0.34212757 0.34212757]
[0.65787243 0.65787243 0.34212757]
[0.34212757 0.34212757 0.34212757]
[0.65787243 0.34212757 0.65787243]
[0.34212757 0.65787243 0.65787243]]
cellpar = Cell([[5.478904631353527, -1.624900135758002e-32, 2.8036816297665417e-33], [-7.187500063359647e-33, 5.478904631353527, 8.40208173253371e-18], [-3.839472674405237e-33, 8.40208173253371e-18, 5.478904631353527]])
forces = [[ 2.38857887e-10 2.38857887e-10 2.38857887e-10]
[-2.38857887e-10 -2.38857887e-10 2.38857887e-10]
[-2.38857887e-10 2.38857887e-10 -2.38857887e-10]
[ 2.38857887e-10 -2.38857887e-10 -2.38857887e-10]
[ 2.38857887e-10 2.38857887e-10 -2.38857887e-10]
[-2.38857887e-10 -2.38857887e-10 -2.38857887e-10]
[ 2.38857887e-10 -2.38857887e-10 2.38857887e-10]
[-2.38857887e-10 2.38857887e-10 2.38857887e-10]
[ 2.38857887e-10 2.38857887e-10 2.38857887e-10]
[-2.38857887e-10 -2.38857887e-10 2.38857887e-10]
[-2.38857887e-10 2.38857887e-10 -2.38857887e-10]
[ 2.38857887e-10 -2.38857887e-10 -2.38857887e-10]
[ 2.38857887e-10 2.38857887e-10 -2.38857887e-10]
[-2.38857887e-10 -2.38857887e-10 -2.38857887e-10]
[ 2.38857887e-10 -2.38857887e-10 2.38857887e-10]
[-2.38857887e-10 2.38857887e-10 2.38857887e-10]]
stress = [-5.29107298e-11 -5.29107298e-11 -5.29107298e-11 -1.34401624e-29
-1.38596414e-34 -2.07876282e-51]
energy per atom = -5.817265225187087
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0