element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Sim_LAMMPS_AIREBO_Morse_OConnorAndzelmRobbins_2015_CH__SM_460187474631_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:18      -29.623732        1.2692
BFGS:    1 15:22:18      -29.665028        1.0014
BFGS:    2 15:22:18      -29.725732        0.1872
BFGS:    3 15:22:18      -29.727870        0.0822
BFGS:    4 15:22:18      -29.727978        0.0823
BFGS:    5 15:22:18      -29.728863        0.0833
BFGS:    6 15:22:19      -29.730730        0.1488
BFGS:    7 15:22:19      -29.733548        0.2251
BFGS:    8 15:22:19      -29.736598        0.2807
BFGS:    9 15:22:19      -29.739835        0.3275
BFGS:   10 15:22:19      -29.743182        0.3702
BFGS:   11 15:22:19      -29.746592        0.4106
BFGS:   12 15:22:19      -29.750035        0.4491
BFGS:   13 15:22:19      -29.753482        0.4859
BFGS:   14 15:22:19      -29.756895        0.5210
BFGS:   15 15:22:19      -29.760231        0.5540
BFGS:   16 15:22:19      -29.763436        0.5846
BFGS:   17 15:22:19      -29.766457        0.6123
BFGS:   18 15:22:19      -29.769249        0.6358
BFGS:   19 15:22:19      -29.771809        0.6532
BFGS:   20 15:22:19      -29.774253        0.6605
BFGS:   21 15:22:19      -29.777021        0.6489
BFGS:   22 15:22:19      -29.781298        0.5962
BFGS:   23 15:22:19      -29.790022        0.4255
BFGS:   24 15:22:19      -29.800090        0.1194
BFGS:   25 15:22:19      -29.802324        0.0146
BFGS:   26 15:22:19      -29.802454        0.0038
BFGS:   27 15:22:19      -29.802461        0.0002
BFGS:   28 15:22:20      -29.802461        0.0000
BFGS:   29 15:22:20      -29.802461        0.0000
BFGS:   30 15:22:20      -29.802461        0.0000
Minimization converged after 30 steps.
Maximum force component: 1.9078833907592358e-30 eV/Angstrom
Maximum stress component: 4.3632500726076843e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.         0.         0.25      ]
 [0.         0.         0.75      ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]]
cellpar =  Cell([[2.4185295254614148, -6.8145396307641415e-18, -1.901604189916395e-31], [-1.2092647627307074, 2.094508008852308, -3.8031947512249845e-31], [-5.5238563859443565e-31, -1.594580026956706e-30, 6.58786644773467]])
forces =  [[ 1.90788339e-30 -1.10151699e-30  1.00006030e-61]
 [-7.94951413e-32  1.37689624e-31 -2.50015971e-62]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.90788339e-30  1.10151699e-30 -1.00006030e-61]]
stress =  [ 4.36325007e-10  4.36325007e-10 -3.40275485e-12  6.97890847e-36
 -4.02921792e-36  8.28488120e-26]
energy per atom =  -7.450615215743334
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0