element(s):
['C', 'Fe']
AFLOW prototype label:
AB4_cP5_215_a_e
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.088', '0.26455447']
model name:
MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Fe']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.26455447 0.26455447 0.26455447]]
spacegroup =  215
cell =  [[4.088, 0, 0], [0, 4.088, 0], [0, 0, 4.088]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 21:07:51      -20.781611         1.291098
BFGS:    1 21:07:51      -20.876077         1.270545
BFGS:    2 21:07:51      -21.103862         1.170896
BFGS:    3 21:07:51      -21.292135         1.021323
BFGS:    4 21:07:51      -21.437304         0.822457
BFGS:    5 21:07:51      -21.536412         0.572458
BFGS:    6 21:07:51      -21.587129         0.346555
BFGS:    7 21:07:51      -21.598296         0.272985
BFGS:    8 21:07:51      -21.602683         0.078075
BFGS:    9 21:07:51      -21.603118         0.004098
BFGS:   10 21:07:51      -21.603123         0.000225
BFGS:   11 21:07:51      -21.603123         0.000002
BFGS:   12 21:07:51      -21.603123         0.000000
BFGS:   13 21:07:51      -21.603123         0.000000
Minimization converged after 13 steps.
Maximum force component: 2.9729803336854256e-10 eV/Angstrom
Maximum stress component: 6.45079410481163e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+000 1.22952024e-103 1.67231725e-086]
 [2.77134241e-001 2.77134241e-001 2.77134241e-001]
 [7.22865759e-001 7.22865759e-001 2.77134241e-001]
 [7.22865759e-001 2.77134241e-001 7.22865759e-001]
 [2.77134241e-001 7.22865759e-001 7.22865759e-001]]
cellpar =  Cell([[3.8476234089584938, 1.6759906382090153e-32, -3.822690632602393e-34], [4.3227528371442635e-33, 3.8476234089584938, -2.8288477298004557e-17], [-1.2855792985545839e-33, -2.8288477298004544e-17, 3.8476234089584938]])
forces =  [[-1.26468320e-31 -1.26468320e-31 -1.26468320e-31]
 [ 2.97298033e-10  2.97298033e-10  2.97298033e-10]
 [-2.97298033e-10 -2.97298033e-10  2.97298033e-10]
 [-2.97298033e-10  2.97298033e-10 -2.97298033e-10]
 [ 2.97298033e-10 -2.97298033e-10 -2.97298033e-10]]
stress =  [-6.45079410e-12 -6.45079410e-12 -6.45079410e-12  1.90289018e-28
 -9.64502073e-62 -1.64499831e-61]
energy per atom =  -4.320624503112223
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0