element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Sim_LAMMPS_TersoffZBL_HenrikssonBjorkasNordlund_2013_FeC__SM_473463498269_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:35:03     -144.309407         0.647788
BFGS:    1 17:35:03     -144.361352         0.441162
BFGS:    2 17:35:03     -144.394551         0.202639
BFGS:    3 17:35:03     -144.408076         0.059139
BFGS:    4 17:35:03     -144.408361         0.020359
BFGS:    5 17:35:04     -144.408386         0.019539
BFGS:    6 17:35:04     -144.408430         0.017133
BFGS:    7 17:35:04     -144.408507         0.021583
BFGS:    8 17:35:04     -144.408583         0.019547
BFGS:    9 17:35:04     -144.408616         0.008132
BFGS:   10 17:35:04     -144.408621         0.001209
BFGS:   11 17:35:04     -144.408621         0.000065
BFGS:   12 17:35:04     -144.408621         0.000007
BFGS:   13 17:35:04     -144.408621         0.000000
BFGS:   14 17:35:05     -144.408621         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.438555341451506e-09 eV/Angstrom
Maximum stress component: 1.337712102006516e-10 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', 'C', 'C', 'C', 'C']
basis =  [[0.26614513 0.26614513 0.26614513]
 [0.73385487 0.73385487 0.26614513]
 [0.73385487 0.26614513 0.73385487]
 [0.26614513 0.73385487 0.73385487]
 [0.26614513 0.26614513 0.73385487]
 [0.73385487 0.73385487 0.73385487]
 [0.26614513 0.73385487 0.26614513]
 [0.73385487 0.26614513 0.26614513]
 [0.5        0.15099526 0.15099526]
 [0.5        0.84900474 0.15099526]
 [0.5        0.15099526 0.84900474]
 [0.5        0.84900474 0.84900474]
 [0.15099526 0.5        0.15099526]
 [0.15099526 0.5        0.84900474]
 [0.84900474 0.5        0.15099526]
 [0.84900474 0.5        0.84900474]
 [0.15099526 0.15099526 0.5       ]
 [0.84900474 0.15099526 0.5       ]
 [0.15099526 0.84900474 0.5       ]
 [0.84900474 0.84900474 0.5       ]]
cellpar =  Cell([[5.217663802006329, -9.532234250907438e-33, -7.536156572998064e-36], [-4.7871670329636856e-33, 5.217663802006329, 4.559253691815709e-22], [-7.654413511671581e-35, 4.559253691813166e-22, 5.217663802006329]])
forces =  [[-4.28373627e-10 -4.28373627e-10 -4.28373627e-10]
 [ 4.28373627e-10  4.28373627e-10 -4.28373627e-10]
 [ 4.28373627e-10 -4.28373627e-10  4.28373627e-10]
 [-4.28373627e-10  4.28373627e-10  4.28373627e-10]
 [-4.28373627e-10 -4.28373627e-10  4.28373627e-10]
 [ 4.28373627e-10  4.28373627e-10  4.28373627e-10]
 [-4.28373627e-10  4.28373627e-10 -4.28373627e-10]
 [ 4.28373627e-10 -4.28373627e-10 -4.28373627e-10]
 [ 2.94766412e-31  2.43855534e-09  2.43855534e-09]
 [ 3.75157252e-32 -2.43855534e-09  2.43855534e-09]
 [-2.20158198e-42  2.43855534e-09 -2.43855534e-09]
 [ 4.82345038e-32 -2.43855534e-09 -2.43855534e-09]
 [ 2.43855534e-09  2.13083726e-31  2.43855534e-09]
 [ 2.43855534e-09 -2.11322757e-31 -2.43855534e-09]
 [-2.43855534e-09  2.11322757e-31  2.43855534e-09]
 [-2.43855534e-09 -2.13083726e-31 -2.43855534e-09]
 [ 2.43855534e-09  2.43855534e-09  2.13083726e-31]
 [-2.43855534e-09  2.43855534e-09  2.13083726e-31]
 [ 2.43855534e-09 -2.43855534e-09 -2.13083726e-31]
 [-2.43855534e-09 -2.43855534e-09 -2.13083726e-31]]
stress =  [-1.33771210e-10 -1.33771210e-10 -1.33771210e-10 -2.35981240e-28
 -8.13859948e-61  7.55016552e-60]
energy per atom =  -7.220431048673798
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0