element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:24      -58.745352        0.5612
BFGS:    1 15:41:24      -58.756622        0.2900
BFGS:    2 15:41:24      -58.758934        0.3041
BFGS:    3 15:41:24      -58.760893        0.2684
BFGS:    4 15:41:24      -58.767966        0.0284
BFGS:    5 15:41:24      -58.767984        0.0090
BFGS:    6 15:41:24      -58.767987        0.0083
BFGS:    7 15:41:24      -58.767995        0.0082
BFGS:    8 15:41:24      -58.767998        0.0062
BFGS:    9 15:41:24      -58.767999        0.0016
BFGS:   10 15:41:24      -58.767999        0.0002
BFGS:   11 15:41:24      -58.767999        0.0000
BFGS:   12 15:41:24      -58.767999        0.0000
BFGS:   13 15:41:24      -58.767999        0.0000
BFGS:   14 15:41:24      -58.767999        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.8148815620663744e-10 eV/Angstrom
Maximum stress component: 2.847516679525307e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.02210371e-35 0.00000000e+00 9.37499910e-02]
 [3.54914881e-35 0.00000000e+00 5.93749991e-01]
 [6.98357934e-36 0.00000000e+00 9.06250009e-01]
 [1.32279342e-35 0.00000000e+00 4.06250009e-01]
 [3.33333333e-01 6.66666667e-01 6.56250005e-01]
 [6.66666667e-01 3.33333333e-01 1.56250005e-01]
 [6.66666667e-01 3.33333333e-01 3.43749995e-01]
 [3.33333333e-01 6.66666667e-01 8.43749995e-01]]
cellpar =  Cell([[2.5222519053921997, 8.393765670359142e-19, 7.960000034348128e-38], [-1.2611259526960998, 2.184334224813349, 1.6005132618972261e-37], [1.1425167643087555e-36, 7.323689440342591e-38, 8.23764121785297]])
forces =  [[ 8.29044134e-32  2.53016505e-48  2.81488156e-10]
 [ 3.44387818e-47 -1.43594656e-31  2.81488156e-10]
 [ 5.18152584e-32  5.38479961e-32 -2.81488156e-10]
 [ 2.20214848e-31 -2.37828649e-31 -2.81488156e-10]
 [ 8.29044134e-32 -1.17179078e-48 -1.34905578e-10]
 [ 2.90165447e-31 -5.02581297e-31 -1.34905578e-10]
 [-2.69439344e-31  3.58986640e-32  1.34905578e-10]
 [ 2.07261033e-31 -7.17973281e-32  1.34905578e-10]]
stress =  [ 1.67484368e-12  1.67484368e-12 -2.84751668e-12  1.60310028e-46
  5.53055044e-47 -4.81987462e-28]
energy per atom =  -7.3459999131630624
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0