element(s):
['C']
AFLOW prototype label:
A_hP12_194_e2f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5213', '4.9308293', '0.18686753', '0.52076763', '0.6450971']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.18686753]
 [0.33333333 0.66666667 0.52076763]
 [0.33333333 0.66666667 0.6450971 ]]
spacegroup =  194
cell =  [[2.5213, 0, 0], [-1.26065, 2.1835098505617, 0], [0, 0, 12.4321]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:40:58      -88.129470         0.562016
BFGS:    1 20:40:59      -88.140024         0.301304
BFGS:    2 20:40:59      -88.144336         0.230913
BFGS:    3 20:40:59      -88.145539         0.203105
BFGS:    4 20:40:59      -88.146781         0.184017
BFGS:    5 20:41:00      -88.150768         0.136385
BFGS:    6 20:41:00      -88.151839         0.064402
BFGS:    7 20:41:00      -88.151977         0.008999
BFGS:    8 20:41:00      -88.151982         0.007847
BFGS:    9 20:41:01      -88.151985         0.006999
BFGS:   10 20:41:01      -88.151991         0.006459
BFGS:   11 20:41:01      -88.151997         0.005776
BFGS:   12 20:41:01      -88.151999         0.002221
BFGS:   13 20:41:02      -88.151999         0.000316
BFGS:   14 20:41:02      -88.151999         0.000020
BFGS:   15 20:41:02      -88.151999         0.000002
BFGS:   16 20:41:02      -88.151999         0.000000
BFGS:   17 20:41:03      -88.151999         0.000000
Minimization converged after 17 steps.
Maximum force component: 6.509592974104538e-10 eV/Angstrom
Maximum stress component: 4.692833789659324e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[9.72335771e-36 2.26124705e-35 1.87500001e-01]
 [2.55984381e-35 0.00000000e+00 6.87500001e-01]
 [2.79892249e-36 0.00000000e+00 8.12499999e-01]
 [2.40029533e-36 0.00000000e+00 3.12499999e-01]
 [3.33333333e-01 6.66666667e-01 5.20833333e-01]
 [6.66666667e-01 3.33333333e-01 2.08333327e-02]
 [6.66666667e-01 3.33333333e-01 4.79166667e-01]
 [3.33333333e-01 6.66666667e-01 9.79166667e-01]
 [3.33333333e-01 6.66666667e-01 6.45833325e-01]
 [6.66666667e-01 3.33333333e-01 1.45833325e-01]
 [6.66666667e-01 3.33333333e-01 3.54166675e-01]
 [3.33333333e-01 6.66666667e-01 8.54166675e-01]]
cellpar =  Cell([[2.522251938959325, -1.497248913268889e-19, 1.5247498930994423e-36], [-1.2611259694796626, 2.184334253883333, 3.0453642530314457e-36], [7.798041054027005e-36, 1.7646953338149595e-35, 12.356461496263266]])
forces =  [[-3.73069865e-31 -7.17973290e-32  2.92411135e-10]
 [ 1.65808829e-31  4.17598844e-46  2.92411135e-10]
 [-1.84537785e-46 -4.17608687e-46 -2.92411135e-10]
 [ 1.03630518e-31  1.07695994e-31 -2.92411135e-10]
 [ 8.23862619e-31 -8.52593282e-31  1.46987977e-10]
 [-2.48713243e-31  4.30783974e-31  1.46987977e-10]
 [-1.61922685e-31 -2.93920316e-31 -1.46987977e-10]
 [ 9.11948559e-31 -4.30783974e-31 -1.46987977e-10]
 [ 7.04687523e-31 -5.02581303e-31 -6.50959297e-10]
 [-2.07261036e-31  5.02581303e-31 -6.50959297e-10]
 [-7.25413627e-31  2.51290652e-31  6.50959297e-10]
 [ 4.97426487e-31 -2.87189316e-31  6.50959297e-10]]
stress =  [-4.69283379e-11 -4.69283379e-11 -4.33919171e-11 -3.65340005e-33
 -6.32787450e-33 -1.02539856e-26]
energy per atom =  -7.345999914073052
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0