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:
MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_002
==== 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 15:24:52      -29.218159        4.1679
BFGS:    1 15:24:52      -29.156899        2.1562
BFGS:    2 15:24:52      -29.306950        1.4103
BFGS:    3 15:24:52      -29.211701        4.5534
BFGS:    4 15:24:52      -29.357710        0.8832
BFGS:    5 15:24:52      -29.370429        0.5439
BFGS:    6 15:24:52      -29.375293        0.2426
BFGS:    7 15:24:52      -29.376338        0.1409
BFGS:    8 15:24:52      -29.377608        0.0106
BFGS:    9 15:24:52      -29.377612        0.0067
BFGS:   10 15:24:52      -29.377614        0.0055
BFGS:   11 15:24:52      -29.377616        0.0035
BFGS:   12 15:24:52      -29.377616        0.0014
BFGS:   13 15:24:52      -29.377616        0.0002
BFGS:   14 15:24:52      -29.377616        0.0000
BFGS:   15 15:24:52      -29.377616        0.0000
BFGS:   16 15:24:52      -29.377616        0.0000
BFGS:   17 15:24:52      -29.377616        0.0000
Minimization converged after 17 steps.
Maximum force component: 4.3514304659542086e-10 eV/Angstrom
Maximum stress component: 8.420571354289159e-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([[2.5135416757249813, -3.05677023502247e-19, 6.509863446785131e-36], [-1.2567708378624907, 2.176790944648743, 2.9478864677796996e-35], [2.975050888833358e-35, -1.4998749569422703e-34, 4.126373057689492]])
forces =  [[ 4.51817817e-33 -7.82571414e-33 -4.35143047e-10]
 [ 2.06545288e-32 -3.57746932e-32 -4.35143047e-10]
 [-4.51817817e-33  7.82571414e-33  4.35143047e-10]
 [ 6.19635863e-32  3.57746932e-32  4.35143047e-10]]
stress =  [-3.42991875e-11 -3.42991875e-11  8.42057135e-11 -9.14837565e-33
 -3.16909029e-33 -3.68659564e-27]
energy per atom =  -7.344404040950362
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0