element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
MEAM_LAMMPS_JeongLee_2020_PdC__MO_068985622065_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:02:42      -44.243978         1.065858
BFGS:    1 15:02:42      -44.321796         0.356645
BFGS:    2 15:02:42      -44.328742         0.245103
BFGS:    3 15:02:42      -44.332567         0.215930
BFGS:    4 15:02:42      -44.337760         0.185679
BFGS:    5 15:02:42      -44.340879         0.183566
BFGS:    6 15:02:42      -44.342875         0.185013
BFGS:    7 15:02:42      -44.344073         0.186318
BFGS:    8 15:02:42      -44.348394         0.188308
BFGS:    9 15:02:42      -44.354107         0.222839
BFGS:   10 15:02:42      -44.360257         0.267622
BFGS:   11 15:02:42      -44.366747         0.299073
BFGS:   12 15:02:42      -44.373435         0.319013
BFGS:   13 15:02:42      -44.380198         0.330580
BFGS:   14 15:02:42      -44.386933         0.335206
BFGS:   15 15:02:42      -44.393550         0.333221
BFGS:   16 15:02:42      -44.399962         0.323962
BFGS:   17 15:02:42      -44.406075         0.305497
BFGS:   18 15:02:42      -44.411767         0.273694
BFGS:   19 15:02:42      -44.416821         0.219390
BFGS:   20 15:02:42      -44.420632         0.115034
BFGS:   21 15:02:42      -44.421487         0.039447
BFGS:   22 15:02:42      -44.421678         0.006363
BFGS:   23 15:02:42      -44.421702         0.001982
BFGS:   24 15:02:42      -44.421703         0.000201
BFGS:   25 15:02:42      -44.421703         0.000017
BFGS:   26 15:02:42      -44.421703         0.000002
BFGS:   27 15:02:42      -44.421703         0.000000
BFGS:   28 15:02:42      -44.421703         0.000000
Minimization converged after 28 steps.
Maximum force component: 3.222157025642553e-09 eV/Angstrom
Maximum stress component: 1.6895149381927028e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.         0.         0.33131367]
 [0.         1.         0.66868633]
 [0.66666667 0.33333333 0.664647  ]
 [0.66666667 0.33333333 0.00201966]
 [0.33333333 0.66666667 0.99798034]
 [0.33333333 0.66666667 0.335353  ]]
cellpar =  Cell([[2.454622730090682, -1.097943801736238e-17, -5.100675445492449e-16], [-1.227311365045341, 2.1257656409652452, -1.3355940381436217e-15], [-2.714121506052154e-15, -9.343869428848607e-15, 11.054504215665713]])
forces =  [[-7.91109930e-25 -2.72354310e-24  3.22215703e-09]
 [ 7.91110145e-25  2.72354123e-24 -3.22215703e-09]
 [-7.91111006e-25 -2.72354272e-24  3.22215703e-09]
 [ 7.91110576e-25  2.72354272e-24 -3.22215703e-09]
 [-7.91112727e-25 -2.72354198e-24  3.22215703e-09]
 [ 7.91110145e-25  2.72354198e-24 -3.22215703e-09]]
stress =  [-1.68951494e-10 -1.68951494e-10 -4.62290348e-11 -1.77398400e-25
 -5.10876066e-26 -2.11006257e-25]
energy per atom =  -7.403617112459255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0