element(s):
['Bi']
AFLOW prototype label:
A_tI8_140_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.7396', '0.47941553', '0.14686909']
model name:
MEAM_LAMMPS_ZhouDickelBaskes_2021_Bi__MO_221877348962_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Bi']
representative atom coordinates =  [[0.14686909 0.64686909 0.        ]]
spacegroup =  140
cell =  [[8.7396, 0, 0], [0, 8.7396, 0], [0, 0, 4.1899]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:21:58      -17.935055        0.5281
BFGS:    1 17:21:58      -17.945448        0.4993
BFGS:    2 17:21:58      -17.996792        0.3196
BFGS:    3 17:21:58      -18.021208        0.1575
BFGS:    4 17:21:58      -18.025269        0.1430
BFGS:    5 17:21:58      -18.026386        0.1622
BFGS:    6 17:21:58      -18.032631        0.2310
BFGS:    7 17:21:58      -18.042403        0.2874
BFGS:    8 17:21:58      -18.054128        0.3109
BFGS:    9 17:21:58      -18.067105        0.3031
BFGS:   10 17:21:58      -18.079827        0.2645
BFGS:   11 17:21:58      -18.089386        0.1978
BFGS:   12 17:21:58      -18.092939        0.1114
BFGS:   13 17:21:58      -18.093382        0.1096
BFGS:   14 17:21:58      -18.097814        0.0662
BFGS:   15 17:21:58      -18.100353        0.0790
BFGS:   16 17:21:58      -18.104955        0.1006
BFGS:   17 17:21:58      -18.109804        0.1032
BFGS:   18 17:21:58      -18.114882        0.0932
BFGS:   19 17:21:58      -18.119662        0.0748
BFGS:   20 17:21:58      -18.123512        0.0527
BFGS:   21 17:21:58      -18.126115        0.0312
BFGS:   22 17:21:58      -18.127545        0.0136
BFGS:   23 17:21:58      -18.128107        0.0021
BFGS:   24 17:21:58      -18.128171        0.0015
BFGS:   25 17:21:58      -18.128176        0.0004
BFGS:   26 17:21:58      -18.128176        0.0001
BFGS:   27 17:21:58      -18.128176        0.0000
BFGS:   28 17:21:58      -18.128176        0.0000
BFGS:   29 17:21:58      -18.128176        0.0000
BFGS:   30 17:21:58      -18.128176        0.0000
Minimization converged after 30 steps.
Maximum force component: 4.98231082019508e-09 eV/Angstrom
Maximum stress component: 2.358907277456979e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Bi', 'Bi', 'Bi', 'Bi', 'Bi', 'Bi', 'Bi', 'Bi']
basis =  [[0.14322245 0.64322245 0.        ]
 [0.85677755 0.35677755 0.        ]
 [0.35677755 0.14322245 0.        ]
 [0.64322245 0.85677755 0.        ]
 [0.85677755 0.64322245 0.5       ]
 [0.14322245 0.35677755 0.5       ]
 [0.64322245 0.14322245 0.5       ]
 [0.35677755 0.85677755 0.5       ]]
cellpar =  Cell([[9.48521525885733, -1.7477638034834783e-36, -2.9383542684349376e-32], [1.867182903692055e-36, 9.48521525885733, 3.3629939230617004e-16], [1.7871525211562762e-32, -1.7667412121943923e-15, 3.8684482883981657]])
forces =  [[ 4.98231082e-09  4.98231082e-09  1.76648399e-25]
 [-4.98231082e-09 -4.98231082e-09 -1.76648397e-25]
 [-4.98231082e-09  4.98231082e-09  1.76648403e-25]
 [ 4.98231082e-09 -4.98231082e-09 -1.76648400e-25]
 [-4.98231082e-09  4.98231082e-09  1.76648403e-25]
 [ 4.98231082e-09 -4.98231082e-09 -1.76648400e-25]
 [ 4.98231082e-09  4.98231082e-09  1.76648400e-25]
 [-4.98231082e-09 -4.98231082e-09 -1.76648397e-25]]
stress =  [-2.35890728e-10 -2.35890728e-10 -1.99636502e-10  4.01826427e-26
  9.36365541e-43 -6.56574600e-59]
energy per atom =  -2.266022044674504
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0