element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:49:51     -117.554669         3.320143
BFGS:    1 16:49:51     -117.509769         2.510560
BFGS:    2 16:49:51     -117.708724         1.000451
BFGS:    3 16:49:51     -117.725865         0.637951
BFGS:    4 16:49:51     -117.734614         0.278197
BFGS:    5 16:49:51     -117.736383         0.263158
BFGS:    6 16:49:51     -117.747732         0.107826
BFGS:    7 16:49:51     -117.749752         0.092318
BFGS:    8 16:49:51     -117.751703         0.045029
BFGS:    9 16:49:51     -117.752217         0.020692
BFGS:   10 16:49:51     -117.752285         0.004204
BFGS:   11 16:49:51     -117.752288         0.002040
BFGS:   12 16:49:51     -117.752288         0.002000
BFGS:   13 16:49:51     -117.752288         0.001767
BFGS:   14 16:49:51     -117.752289         0.001449
BFGS:   15 16:49:51     -117.752289         0.001519
BFGS:   16 16:49:51     -117.752290         0.000774
BFGS:   17 16:49:51     -117.752290         0.000151
BFGS:   18 16:49:51     -117.752290         0.000013
BFGS:   19 16:49:51     -117.752290         0.000001
BFGS:   20 16:49:51     -117.752290         0.000000
BFGS:   21 16:49:51     -117.752290         0.000000
BFGS:   22 16:49:51     -117.752290         0.000000
BFGS:   23 16:49:51     -117.752290         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.177986707125769e-09 eV/Angstrom
Maximum stress component: 5.4270651443885723e-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 =  [[0.00000000e+00 4.97851199e-35 4.63908552e-02]
 [1.86541771e-34 0.00000000e+00 5.46390855e-01]
 [4.87781323e-35 0.00000000e+00 9.53609145e-01]
 [0.00000000e+00 2.99172595e-35 4.53609145e-01]
 [3.33333333e-01 6.66666667e-01 7.82933811e-02]
 [6.66666667e-01 3.33333333e-01 5.78293381e-01]
 [6.66666667e-01 3.33333333e-01 9.21706619e-01]
 [3.33333333e-01 6.66666667e-01 4.21706619e-01]
 [3.33333333e-01 6.66666667e-01 1.70105236e-01]
 [6.66666667e-01 3.33333333e-01 6.70105236e-01]
 [6.66666667e-01 3.33333333e-01 8.29894764e-01]
 [3.33333333e-01 6.66666667e-01 3.29894764e-01]
 [3.33333333e-01 6.66666667e-01 7.96212280e-01]
 [6.66666667e-01 3.33333333e-01 2.96212280e-01]
 [6.66666667e-01 3.33333333e-01 2.03787720e-01]
 [3.33333333e-01 6.66666667e-01 7.03787720e-01]]
cellpar =  Cell([[2.514649882248007, -6.461154866477493e-19, 1.0456452153230152e-34], [-1.2573249411240035, 2.177750679650321, 2.098072008188873e-34], [6.912818230373106e-34, 2.0049128446864463e-33, 16.45461017737586]])
forces =  [[-4.62348838e-31  1.56583289e-31  2.75248352e-09]
 [ 4.75263610e-31 -1.78952330e-31  2.75248352e-09]
 [ 4.64931793e-31 -1.96847564e-31 -2.75248352e-09]
 [-3.92609069e-31  1.78952330e-31 -2.75248352e-09]
 [ 7.00626382e-32  2.18098153e-32 -3.17798671e-09]
 [-2.58295440e-33  4.47380826e-33 -3.17798671e-09]
 [-5.16590881e-32 -1.78952330e-32  3.17798671e-09]
 [ 8.26545409e-32 -1.43161864e-31  3.17798671e-09]
 [ 4.13272705e-32 -7.15809322e-32  5.75357428e-10]
 [-1.29147720e-31  8.05285487e-32  5.75357428e-10]
 [-1.23981811e-31  7.15809322e-32 -5.75357428e-10]
 [-2.41761808e-44 -1.43161864e-31 -5.75357428e-10]
 [-4.13272705e-32 -7.15809322e-32 -2.43327525e-10]
 [-1.44645447e-31  3.57904661e-32 -2.43327525e-10]
 [-4.13272705e-32  7.15809322e-32  2.43327525e-10]
 [ 1.65309082e-31  2.96482126e-44  2.43327525e-10]]
stress =  [ 1.42719800e-11  1.42719800e-11  5.42706514e-11 -3.43973292e-34
 -5.95779197e-34 -8.25625034e-28]
energy per atom =  -7.359518116497207
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0