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_JeongLee_2020_PtC__MO_716623333967_001
==== 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 15:27:51     -117.554669         3.320143
BFGS:    1 15:27:51     -117.509769         2.510560
BFGS:    2 15:27:51     -117.708724         1.000451
BFGS:    3 15:27:51     -117.725865         0.637953
BFGS:    4 15:27:51     -117.734614         0.278197
BFGS:    5 15:27:51     -117.736383         0.263158
BFGS:    6 15:27:51     -117.747732         0.107828
BFGS:    7 15:27:51     -117.749752         0.092318
BFGS:    8 15:27:51     -117.751703         0.045032
BFGS:    9 15:27:51     -117.752217         0.020692
BFGS:   10 15:27:51     -117.752285         0.004203
BFGS:   11 15:27:51     -117.752288         0.002041
BFGS:   12 15:27:51     -117.752288         0.002001
BFGS:   13 15:27:51     -117.752288         0.001768
BFGS:   14 15:27:51     -117.752289         0.001450
BFGS:   15 15:27:51     -117.752289         0.001520
BFGS:   16 15:27:51     -117.752290         0.000774
BFGS:   17 15:27:51     -117.752290         0.000151
BFGS:   18 15:27:51     -117.752290         0.000013
BFGS:   19 15:27:51     -117.752290         0.000001
BFGS:   20 15:27:51     -117.752290         0.000000
BFGS:   21 15:27:51     -117.752290         0.000000
BFGS:   22 15:27:51     -117.752290         0.000000
BFGS:   23 15:27:51     -117.752290         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.1750136963992763e-09 eV/Angstrom
Maximum stress component: 5.425344237066273e-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 =  [[1.38637320e-35 5.56385875e-35 4.63908567e-02]
 [1.64373886e-35 2.43520415e-35 5.46390857e-01]
 [3.94722306e-35 0.00000000e+00 9.53609143e-01]
 [0.00000000e+00 0.00000000e+00 4.53609143e-01]
 [3.33333333e-01 6.66666667e-01 7.82933782e-02]
 [6.66666667e-01 3.33333333e-01 5.78293378e-01]
 [6.66666667e-01 3.33333333e-01 9.21706622e-01]
 [3.33333333e-01 6.66666667e-01 4.21706622e-01]
 [3.33333333e-01 6.66666667e-01 1.70105237e-01]
 [6.66666667e-01 3.33333333e-01 6.70105237e-01]
 [6.66666667e-01 3.33333333e-01 8.29894763e-01]
 [3.33333333e-01 6.66666667e-01 3.29894763e-01]
 [3.33333333e-01 6.66666667e-01 7.96212283e-01]
 [6.66666667e-01 3.33333333e-01 2.96212283e-01]
 [6.66666667e-01 3.33333333e-01 2.03787717e-01]
 [3.33333333e-01 6.66666667e-01 7.03787717e-01]]
cellpar =  Cell([[2.5146498072610277, 4.525870890798751e-19, -1.6786610398586907e-33], [-1.2573249036305139, 2.17775061470969, -3.357333904506321e-33], [-1.1022373899249966e-32, -3.18246226492388e-32, 16.454610246827126]])
forces =  [[-2.89290885e-31  1.43161860e-31  2.74980716e-09]
 [-8.26545385e-32  4.29485580e-31  2.74980716e-09]
 [ 4.13272692e-31 -1.43161860e-31 -2.74980716e-09]
 [ 1.84199606e-42 -1.43161860e-31 -2.74980716e-09]
 [ 7.02563577e-31 -2.14742790e-31 -3.17501370e-09]
 [-8.26545385e-32  7.15809301e-32 -3.17501370e-09]
 [-3.71945423e-31  7.15809300e-32  3.17501370e-09]
 [-2.47963615e-31  1.43161860e-31  3.17501370e-09]
 [ 3.82277240e-31 -8.94761626e-32  5.74646497e-10]
 [-8.26545385e-32 -1.11141546e-42  5.74646497e-10]
 [ 1.23981808e-31  7.15809301e-32 -5.74646497e-10]
 [ 8.26545385e-32 -1.43161860e-31 -5.74646497e-10]
 [ 5.16590865e-32 -1.61057093e-31 -2.42578728e-10]
 [-1.44645442e-31 -3.57904650e-32 -2.42578728e-10]
 [-9.29863558e-32  2.32638023e-31  2.42578728e-10]
 [ 8.26545385e-32 -4.69167979e-43  2.42578728e-10]]
stress =  [ 1.42472668e-11  1.42472668e-11  5.42534424e-11  1.37589339e-33
  2.38311691e-33 -2.22285531e-27]
energy per atom =  -7.359518115136057
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0