element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:18:02      -29.169448         3.803570
BFGS:    1 18:18:02      -29.717239         3.502657
BFGS:    2 18:18:02      -30.220937         3.215575
BFGS:    3 18:18:02      -30.682577         2.941805
BFGS:    4 18:18:02      -31.104119         2.680845
BFGS:    5 18:18:02      -31.487447         2.432218
BFGS:    6 18:18:02      -31.834377         2.195454
BFGS:    7 18:18:02      -32.146654         1.970102
BFGS:    8 18:18:02      -32.425957         1.755731
BFGS:    9 18:18:02      -32.673901         1.551888
BFGS:   10 18:18:02      -32.892052         1.358724
BFGS:   11 18:18:02      -33.082170         1.178308
BFGS:   12 18:18:02      -33.246163         1.010255
BFGS:   13 18:18:02      -33.385828         0.853820
BFGS:   14 18:18:02      -33.502854         0.708290
BFGS:   15 18:18:02      -33.598826         0.572988
BFGS:   16 18:18:02      -33.675230         0.447285
BFGS:   17 18:18:02      -33.733462         0.330586
BFGS:   18 18:18:02      -33.774828         0.222327
BFGS:   19 18:18:02      -33.800556         0.121987
BFGS:   20 18:18:02      -33.811795         0.029068
BFGS:   21 18:18:02      -33.812508         0.001447
BFGS:   22 18:18:02      -33.812510         0.000019
BFGS:   23 18:18:02      -33.812510         0.000000
BFGS:   24 18:18:02      -33.812510         0.000000
Minimization converged after 24 steps.
Maximum force component: 6.493442561008666e-31 eV/Angstrom
Maximum stress component: 9.247163573257588e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.648329238593976, 6.661143884895203e-34, -3.2135318743473484e-33], [-4.006007128771149e-33, 4.648329238593976, -2.632431607550528e-18], [-6.665541522564944e-34, -2.6324316075505074e-18, 4.648329238593976]])
forces =  [[ 1.71885244e-31 -7.63934419e-32  2.29180326e-31]
 [ 3.43770489e-31 -1.08157416e-50  1.90983605e-32]
 [-4.20163930e-31  1.73051865e-49 -3.05573768e-31]
 [-1.52786884e-31 -7.63934419e-32  4.32629663e-50]
 [ 6.49344256e-31  3.81967209e-31  7.63934419e-32]
 [ 1.41314410e-64 -1.90983605e-31  1.62336064e-31]
 [-2.29180326e-31 -1.14590163e-31 -3.96290980e-31]
 [-3.53319669e-31 -3.81967209e-31  3.81967209e-31]]
stress =  [-9.24716357e-15 -9.24716357e-15 -9.24716357e-15  7.23041767e-31
 -1.78863597e-33  7.46383283e-50]
energy per atom =  -4.22656377677124
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0