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 16:31:26     -112.429614        1.8586
BFGS:    1 16:31:26     -112.501685        1.2306
BFGS:    2 16:31:26     -112.599151        0.9498
BFGS:    3 16:31:26     -112.619315        0.8717
BFGS:    4 16:31:26     -112.665358        0.6951
BFGS:    5 16:31:26     -112.705690        0.5429
BFGS:    6 16:31:26     -112.741239        0.4284
BFGS:    7 16:31:26     -112.770768        0.3645
BFGS:    8 16:31:26     -112.792799        0.2652
BFGS:    9 16:31:26     -112.806146        0.1389
BFGS:   10 16:31:26     -112.809918        0.0919
BFGS:   11 16:31:26     -112.810105        0.0877
BFGS:   12 16:31:26     -112.811199        0.0721
BFGS:   13 16:31:26     -112.811776        0.0818
BFGS:   14 16:31:26     -112.812367        0.0494
BFGS:   15 16:31:26     -112.812501        0.0140
BFGS:   16 16:31:26     -112.812518        0.0113
BFGS:   17 16:31:26     -112.812521        0.0109
BFGS:   18 16:31:26     -112.812527        0.0093
BFGS:   19 16:31:26     -112.812536        0.0061
BFGS:   20 16:31:26     -112.812544        0.0040
BFGS:   21 16:31:26     -112.812548        0.0015
BFGS:   22 16:31:26     -112.812548        0.0002
BFGS:   23 16:31:26     -112.812548        0.0000
BFGS:   24 16:31:26     -112.812548        0.0000
BFGS:   25 16:31:26     -112.812548        0.0000
BFGS:   26 16:31:26     -112.812548        0.0000
BFGS:   27 16:31:26     -112.812548        0.0000
Minimization converged after 27 steps.
Maximum force component: 7.48042525144932e-09 eV/Angstrom
Maximum stress component: 6.601129909781325e-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 0.00000000e+00]
 [8.14824848e-01 8.32677646e-01 2.42328175e-35]
 [8.14824848e-01 1.67322354e-01 0.00000000e+00]
 [1.85175152e-01 8.32677646e-01 8.47233033e-36]
 [6.85175152e-01 6.67322354e-01 0.00000000e+00]
 [3.14824848e-01 3.32677646e-01 1.70461604e-35]
 [3.14824848e-01 6.67322354e-01 0.00000000e+00]
 [6.85175152e-01 3.32677646e-01 2.04535558e-35]
 [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, -9.655880995465771e-37, 0.0], [-2.368842760522698e-36, 8.834904424679593, 0.0], [0.0, 0.0, 2.5709634077002983]])
forces =  [[-7.48042525e-09  5.89688579e-10  0.00000000e+00]
 [ 7.48042525e-09 -5.89688579e-10  0.00000000e+00]
 [ 7.48042525e-09  5.89688579e-10  0.00000000e+00]
 [-7.48042525e-09 -5.89688579e-10  0.00000000e+00]
 [-7.48042525e-09  5.89688579e-10  0.00000000e+00]
 [ 7.48042525e-09 -5.89688579e-10  0.00000000e+00]
 [ 7.48042525e-09  5.89688579e-10  0.00000000e+00]
 [-7.48042525e-09 -5.89688579e-10  0.00000000e+00]
 [-2.52709237e-09 -1.49441737e-10 -2.53516565e-31]
 [ 2.52709237e-09  1.49441737e-10  2.53516565e-31]
 [ 2.52709237e-09 -1.49441737e-10 -2.53516565e-31]
 [-2.52709237e-09  1.49441737e-10  2.53516565e-31]
 [-2.52709237e-09 -1.49441737e-10 -1.26758283e-31]
 [ 2.52709237e-09  1.49441737e-10  2.53516565e-31]
 [ 2.52709237e-09 -1.49441737e-10 -2.53516565e-31]
 [-2.52709237e-09  1.49441737e-10  2.53516565e-31]]
stress =  [-3.89227815e-11 -5.36195708e-11  6.60112991e-11  0.00000000e+00
  0.00000000e+00 -1.32987682e-33]
energy per atom =  -7.050784278576367
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0