element(s):
['C']
AFLOW prototype label:
A_hP16_194_e3f
Parameter names:
['a', 'c/a', 'z1', 'z2', 'z3', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5225', '6.564004', '0.046707512', '0.57788125', '0.67123739', '0.29740429']
model name:
MEAM_LAMMPS_KimLee_2008_TiC__MO_134206624109_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.         0.         0.04670751]
 [0.33333333 0.66666667 0.07788125]
 [0.33333333 0.66666667 0.17123739]
 [0.33333333 0.66666667 0.79740429]]
spacegroup =  194
cell =  [[2.5225, 0, 0], [-1.26125, 2.1845490810462, 0], [0, 0, 16.5577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:49:50     -117.554669         3.320143
BFGS:    1 16:49:50     -117.509769         2.510561
BFGS:    2 16:49:50     -117.708724         1.000451
BFGS:    3 16:49:50     -117.725865         0.637954
BFGS:    4 16:49:50     -117.734614         0.278198
BFGS:    5 16:49:50     -117.736383         0.263159
BFGS:    6 16:49:50     -117.747733         0.107828
BFGS:    7 16:49:51     -117.749752         0.092315
BFGS:    8 16:49:51     -117.751703         0.045028
BFGS:    9 16:49:51     -117.752217         0.020690
BFGS:   10 16:49:51     -117.752285         0.004202
BFGS:   11 16:49:51     -117.752288         0.002040
BFGS:   12 16:49:51     -117.752288         0.002000
BFGS:   13 16:49:51     -117.752288         0.001767
BFGS:   14 16:49:51     -117.752289         0.001449
BFGS:   15 16:49:51     -117.752289         0.001519
BFGS:   16 16:49:51     -117.752290         0.000774
BFGS:   17 16:49:51     -117.752290         0.000151
BFGS:   18 16:49:51     -117.752290         0.000013
BFGS:   19 16:49:51     -117.752290         0.000001
BFGS:   20 16:49:51     -117.752290         0.000000
BFGS:   21 16:49:51     -117.752290         0.000000
BFGS:   22 16:49:51     -117.752290         0.000000
BFGS:   23 16:49:51     -117.752290         0.000000
Minimization converged after 23 steps.
Maximum force component: 3.1744394335397885e-09 eV/Angstrom
Maximum stress component: 5.427520864641889e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.29389542e-36 0.00000000e+00 4.63908520e-02]
 [0.00000000e+00 0.00000000e+00 5.46390852e-01]
 [0.00000000e+00 0.00000000e+00 9.53609148e-01]
 [7.01315165e-35 0.00000000e+00 4.53609148e-01]
 [3.33333333e-01 6.66666667e-01 7.82933828e-02]
 [6.66666667e-01 3.33333333e-01 5.78293383e-01]
 [6.66666667e-01 3.33333333e-01 9.21706617e-01]
 [3.33333333e-01 6.66666667e-01 4.21706617e-01]
 [3.33333333e-01 6.66666667e-01 1.70105234e-01]
 [6.66666667e-01 3.33333333e-01 6.70105234e-01]
 [6.66666667e-01 3.33333333e-01 8.29894766e-01]
 [3.33333333e-01 6.66666667e-01 3.29894766e-01]
 [3.33333333e-01 6.66666667e-01 7.96212279e-01]
 [6.66666667e-01 3.33333333e-01 2.96212279e-01]
 [6.66666667e-01 3.33333333e-01 2.03787721e-01]
 [3.33333333e-01 6.66666667e-01 7.03787721e-01]]
cellpar =  Cell([[2.5146498914070485, 8.010561178949804e-19, -8.425022939757968e-34], [-1.2573249457035243, 2.1777506875822836, -1.6854881111986405e-33], [-5.531771373399965e-33, -1.596385170857327e-32, 16.454609756991882]])
forces =  [[-4.75263612e-31  2.50533264e-31  2.74723094e-09]
 [ 3.51281800e-31 -3.57904662e-32  2.74723094e-09]
 [ 8.26545412e-32 -1.43161865e-31 -2.74723094e-09]
 [-3.71945436e-31  2.86323730e-31 -2.74723094e-09]
 [ 1.65309082e-31 -7.15809324e-32 -3.17443943e-09]
 [-1.44645447e-31 -3.57904662e-32 -3.17443943e-09]
 [ 1.44645447e-31  3.57904662e-32  3.17443943e-09]
 [ 1.65309082e-31 -3.07976186e-42  3.17443943e-09]
 [-1.44645447e-31  1.07371399e-31  5.75250014e-10]
 [ 2.27299988e-31 -2.32638030e-31  5.75250014e-10]
 [ 1.93389671e-43  5.58093207e-43 -5.75250014e-10]
 [-2.22134080e-31  2.05795181e-31 -5.75250014e-10]
 [-1.34313630e-31  2.32638030e-31 -2.43901128e-10]
 [ 4.67514749e-31 -5.59226035e-31 -2.43901128e-10]
 [ 2.06636353e-31 -7.15809324e-32  2.43901128e-10]
 [ 8.26545412e-32 -2.36626761e-43  2.43901128e-10]]
stress =  [1.41849535e-11 1.41849535e-11 5.42752086e-11 5.50357267e-33
 3.17748914e-33 3.59678041e-27]
energy per atom =  -7.359518115483005
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0