element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Sim_LAMMPS_MEAM_KimJungLee_2009_FeTiC__SM_531038274471_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:24:59      -29.218159        4.1679
BFGS:    1 15:24:59      -29.156899        2.1562
BFGS:    2 15:24:59      -29.306950        1.4103
BFGS:    3 15:24:59      -29.211701        4.5534
BFGS:    4 15:24:59      -29.357710        0.8832
BFGS:    5 15:24:59      -29.370429        0.5439
BFGS:    6 15:24:59      -29.375293        0.2426
BFGS:    7 15:24:59      -29.376338        0.1409
BFGS:    8 15:24:59      -29.377608        0.0106
BFGS:    9 15:24:59      -29.377612        0.0067
BFGS:   10 15:24:59      -29.377614        0.0055
BFGS:   11 15:24:59      -29.377616        0.0035
BFGS:   12 15:24:59      -29.377616        0.0014
BFGS:   13 15:24:59      -29.377616        0.0002
BFGS:   14 15:24:59      -29.377616        0.0000
BFGS:   15 15:24:59      -29.377616        0.0000
BFGS:   16 15:24:59      -29.377616        0.0000
BFGS:   17 15:24:59      -29.377616        0.0000
Minimization converged after 17 steps.
Maximum force component: 4.352421617559443e-10 eV/Angstrom
Maximum stress component: 8.421379637955294e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.06910119]
 [0.66666666 0.33333334 0.56910119]
 [0.66666666 0.33333334 0.93089881]
 [0.33333333 0.66666667 0.43089881]]
cellpar =  Cell([[2.51354167572495, 6.374435319535485e-19, 3.460504457017621e-35], [-1.256770837862475, 2.176790944648716, 2.3282042491165232e-35], [-5.681254948224095e-36, 3.751333895999674e-35, 4.126373057689518]])
forces =  [[-1.44581701e-31  2.14648159e-31 -4.35242162e-10]
 [ 3.51126989e-31 -3.95674823e-45 -4.35242162e-10]
 [ 6.19635863e-32 -7.15493865e-32  4.35242162e-10]
 [-2.27199816e-31  3.95677966e-45  4.35242162e-10]]
stress =  [-3.43079120e-11 -3.43079120e-11  8.42137964e-11 -3.20193148e-33
  7.92272572e-34  1.02271517e-26]
energy per atom =  -7.344404040950363
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0