element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:22      -54.460595       12.2558
BFGS:    1 15:41:22      -56.784893        3.6863
BFGS:    2 15:41:22      -57.044798        1.5725
BFGS:    3 15:41:22      -57.118065        1.4179
BFGS:    4 15:41:22      -57.206524        1.0460
BFGS:    5 15:41:22      -57.264445        0.6620
BFGS:    6 15:41:22      -57.294813        0.2855
BFGS:    7 15:41:22      -57.300768        0.0407
BFGS:    8 15:41:22      -57.300845        0.0411
BFGS:    9 15:41:22      -57.301046        0.0303
BFGS:   10 15:41:22      -57.301144        0.0137
BFGS:   11 15:41:22      -57.301174        0.0056
BFGS:   12 15:41:22      -57.301176        0.0008
BFGS:   13 15:41:22      -57.301177        0.0001
BFGS:   14 15:41:22      -57.301177        0.0000
BFGS:   15 15:41:22      -57.301177        0.0000
BFGS:   16 15:41:22      -57.301177        0.0000
BFGS:   17 15:41:22      -57.301177        0.0000
BFGS:   18 15:41:22      -57.301177        0.0000
Minimization converged after 18 steps.
Maximum force component: 3.0570278485280576e-09 eV/Angstrom
Maximum stress component: 1.9526825287612754e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[4.44257984e-35 3.54248419e-35 8.66958081e-02]
 [0.00000000e+00 1.36295741e-34 5.86695808e-01]
 [0.00000000e+00 5.30060220e-35 9.13304192e-01]
 [0.00000000e+00 0.00000000e+00 4.13304192e-01]
 [3.33333333e-01 6.66666667e-01 6.57958079e-01]
 [6.66666667e-01 3.33333333e-01 1.57958079e-01]
 [6.66666667e-01 3.33333333e-01 3.42041921e-01]
 [3.33333333e-01 6.66666667e-01 8.42041921e-01]]
cellpar =  Cell([[2.4935179093968336, 4.716391773094198e-18, -5.8124409593574867e-36], [-1.2467589546984168, 2.159449854329121, -1.108803878794905e-35], [-9.507278490078666e-37, -2.707175925715122e-35, 8.606438048765966]])
forces =  [[ 1.22939925e-31  9.61618765e-45 -3.05702785e-09]
 [ 8.19599498e-32  9.61611014e-45 -3.05702785e-09]
 [ 6.14699623e-32 -1.06469098e-31  3.05702785e-09]
 [-3.36326489e-46 -7.09793986e-32  3.05702785e-09]
 [-2.15144868e-31  1.59703647e-31  8.80768835e-11]
 [-1.11039629e-47  7.09793986e-32  8.80768835e-11]
 [-8.19599498e-32  2.76892945e-46 -8.80768835e-11]
 [ 1.63919900e-31  2.77358017e-46 -8.80768835e-11]]
stress =  [-1.95268253e-10 -1.95268253e-10 -5.46965081e-11 -8.84285748e-33
 -4.04570579e-48  7.72397800e-27]
energy per atom =  -7.162647064267165
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0