element(s):
['C']
AFLOW prototype label:
A_oC16_65_pq
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y1', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2547', '2.0610619', '0.59089948', '0.18519352', '0.16660457', '0.18446938', '0.41082374']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.18519352 0.16660457 0.        ]
 [0.18446938 0.41082374 0.5       ]]
spacegroup =  65
cell =  [[4.2547, 0, 0], [0, 8.7692, 0], [0, 0, 2.5141]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:41:47     -112.429614         1.858635
BFGS:    1 16:41:48     -112.501685         1.230557
BFGS:    2 16:41:48     -112.599151         0.949800
BFGS:    3 16:41:48     -112.619315         0.871750
BFGS:    4 16:41:48     -112.665358         0.695088
BFGS:    5 16:41:48     -112.705690         0.542895
BFGS:    6 16:41:48     -112.741239         0.428378
BFGS:    7 16:41:48     -112.770768         0.364500
BFGS:    8 16:41:48     -112.792799         0.265207
BFGS:    9 16:41:48     -112.806146         0.138945
BFGS:   10 16:41:48     -112.809918         0.091885
BFGS:   11 16:41:48     -112.810105         0.087688
BFGS:   12 16:41:48     -112.811199         0.072056
BFGS:   13 16:41:48     -112.811776         0.081759
BFGS:   14 16:41:48     -112.812367         0.049401
BFGS:   15 16:41:48     -112.812501         0.013979
BFGS:   16 16:41:48     -112.812518         0.011282
BFGS:   17 16:41:48     -112.812521         0.010876
BFGS:   18 16:41:48     -112.812527         0.009292
BFGS:   19 16:41:48     -112.812536         0.006120
BFGS:   20 16:41:48     -112.812544         0.003993
BFGS:   21 16:41:48     -112.812548         0.001465
BFGS:   22 16:41:48     -112.812548         0.000220
BFGS:   23 16:41:48     -112.812548         0.000032
BFGS:   24 16:41:48     -112.812548         0.000001
BFGS:   25 16:41:48     -112.812548         0.000000
BFGS:   26 16:41:48     -112.812548         0.000000
BFGS:   27 16:41:48     -112.812548         0.000000
Minimization converged after 27 steps.
Maximum force component: 7.480421559957763e-09 eV/Angstrom
Maximum stress component: 6.601112615891703e-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 =  [[1.85175152e-01 1.67322354e-01 3.31261397e-37]
 [8.14824848e-01 8.32677646e-01 1.41707620e-35]
 [8.14824848e-01 1.67322354e-01 0.00000000e+00]
 [1.85175152e-01 8.32677646e-01 4.64412822e-37]
 [6.85175152e-01 6.67322354e-01 1.56846992e-36]
 [3.14824848e-01 3.32677646e-01 1.48532784e-35]
 [3.14824848e-01 6.67322354e-01 0.00000000e+00]
 [6.85175152e-01 3.32677646e-01 3.92413075e-37]
 [1.90276645e-01 4.09477789e-01 5.00000000e-01]
 [8.09723355e-01 5.90522211e-01 5.00000000e-01]
 [8.09723355e-01 4.09477789e-01 5.00000000e-01]
 [1.90276645e-01 5.90522211e-01 5.00000000e-01]
 [6.90276645e-01 9.09477789e-01 5.00000000e-01]
 [3.09723355e-01 9.05222108e-02 5.00000000e-01]
 [3.09723355e-01 9.09477789e-01 5.00000000e-01]
 [6.90276645e-01 9.05222108e-02 5.00000000e-01]]
cellpar =  Cell([[4.196306286189417, 2.7524484330090977e-36, 0.0], [-2.1510685132559447e-36, 8.834904424679593, 0.0], [0.0, 0.0, 2.5709634077002983]])
forces =  [[-7.48042156e-09  5.89684168e-10  0.00000000e+00]
 [ 7.48042156e-09 -5.89684168e-10  0.00000000e+00]
 [ 7.48042156e-09  5.89684168e-10  0.00000000e+00]
 [-7.48042156e-09 -5.89684168e-10  0.00000000e+00]
 [-7.48042156e-09  5.89684168e-10  0.00000000e+00]
 [ 7.48042156e-09 -5.89684168e-10  0.00000000e+00]
 [ 7.48042156e-09  5.89684168e-10 -3.16895706e-32]
 [-7.48042156e-09 -5.89684168e-10  0.00000000e+00]
 [-2.52708829e-09 -1.49457918e-10  9.50687119e-32]
 [ 2.52708829e-09  1.49457918e-10  0.00000000e+00]
 [ 2.52708829e-09 -1.49457918e-10  0.00000000e+00]
 [-2.52708829e-09  1.49457918e-10 -1.26758283e-31]
 [-2.52708829e-09 -1.49457918e-10  6.33791413e-32]
 [ 2.52708829e-09  1.49457918e-10  0.00000000e+00]
 [ 2.52708829e-09 -1.49457918e-10  0.00000000e+00]
 [-2.52708829e-09  1.49457918e-10  0.00000000e+00]]
stress =  [-3.89227943e-11 -5.36198783e-11  6.60111262e-11  0.00000000e+00
  0.00000000e+00  4.83925273e-47]
energy per atom =  -7.050784278576363
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0