element(s):
['Al', 'Co']
AFLOW prototype label:
AB3_hP8_194_c_h
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1188', '0.88215988', '0.83576263']
model name:
MEAM_LAMMPS_DongKimKo_2012_CoAl__MO_099716416216_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Co']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.83576263 0.67152526 0.25      ]]
spacegroup =  194
cell =  [[5.1188, 0, 0], [-2.5594, 4.4330108368918, 0], [0, 0, 4.5156]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:44:44      -35.397027         2.031239
BFGS:    1 18:44:44      -35.470515         1.997745
BFGS:    2 18:44:44      -35.588718         1.934562
BFGS:    3 18:44:44      -35.697761         1.864710
BFGS:    4 18:44:44      -35.798385         1.788214
BFGS:    5 18:44:44      -35.891198         1.705074
BFGS:    6 18:44:44      -35.976695         1.615272
BFGS:    7 18:44:44      -36.055273         1.518783
BFGS:    8 18:44:44      -36.127248         1.415575
BFGS:    9 18:44:44      -36.192862         1.305623
BFGS:   10 18:44:44      -36.252296         1.188910
BFGS:   11 18:44:44      -36.305682         1.065442
BFGS:   12 18:44:44      -36.353110         0.935256
BFGS:   13 18:44:44      -36.394650         0.798444
BFGS:   14 18:44:44      -36.430360         0.655179
BFGS:   15 18:44:44      -36.460320         0.505771
BFGS:   16 18:44:44      -36.484665         0.401667
BFGS:   17 18:44:44      -36.503669         0.413276
BFGS:   18 18:44:44      -36.517929         0.408121
BFGS:   19 18:44:44      -36.528943         0.371339
BFGS:   20 18:44:44      -36.537311         0.304548
BFGS:   21 18:44:44      -36.549103         0.166647
BFGS:   22 18:44:44      -36.554512         0.102578
BFGS:   23 18:44:44      -36.556197         0.084264
BFGS:   24 18:44:44      -36.557035         0.054247
BFGS:   25 18:44:44      -36.557654         0.034066
BFGS:   26 18:44:44      -36.557891         0.015999
BFGS:   27 18:44:44      -36.557929         0.002649
BFGS:   28 18:44:44      -36.557931         0.000346
BFGS:   29 18:44:44      -36.557931         0.000019
BFGS:   30 18:44:44      -36.557931         0.000002
BFGS:   31 18:44:44      -36.557931         0.000000
BFGS:   32 18:44:44      -36.557931         0.000000
Minimization converged after 32 steps.
Maximum force component: 5.736158033989271e-09 eV/Angstrom
Maximum stress component: 7.072394934424735e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]
 [0.83032021 0.66064044 0.25      ]
 [0.33935956 0.16967979 0.25      ]
 [0.83032021 0.16967979 0.25      ]
 [0.16967978 0.33935957 0.75      ]
 [0.66064043 0.83032022 0.75      ]
 [0.16967978 0.83032022 0.75      ]]
cellpar =  Cell([[5.143452862913448, 2.1463970004769997e-17, 4.87337632419042e-38], [-2.571726431456724, 4.4543608424508445, 2.690427290713527e-36], [-2.0562164906794877e-36, -9.836079181860442e-36, 3.9883206487194554]])
forces =  [[-5.01900448e-31  1.92164827e-31  1.12363013e-67]
 [ 4.75484635e-31 -2.37918358e-31 -1.40498652e-67]
 [-1.55587540e-24 -5.73615803e-09 -6.55464633e-32]
 [ 4.96765858e-09  2.86807902e-09  1.31092927e-31]
 [-4.96765858e-09  2.86807902e-09  6.55464633e-32]
 [ 1.14228509e-24  5.73615803e-09  6.55464633e-32]
 [-4.96765858e-09 -2.86807902e-09 -1.31092927e-31]
 [ 4.96765858e-09 -2.86807902e-09 -6.55464633e-32]]
stress =  [-3.18540165e-10 -3.18540165e-10  7.07239493e-10  4.62544731e-34
 -6.70301784e-46 -5.14143906e-26]
energy per atom =  -4.5697414050260905
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0