element(s):
['Re', 'W']
AFLOW prototype label:
A2B_hP12_194_ah_f
Parameter names:
['a', 'c/a', 'z2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1517', '1.6262787', '0.56489101', '0.17221413']
model name:
EAM_Dynamo_BonnyBakaevTerentyev_2017_WRe__MO_234187151804_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Re', 'Re', 'W']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.17221413 0.34442826 0.25      ]
 [0.33333333 0.66666667 0.56489101]]
spacegroup =  194
cell =  [[5.1517, 0, 0], [-2.57585, 4.4615030726763, 0], [0, 0, 8.3781]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:29:59      -96.314758         2.315948
BFGS:    1 17:29:59      -96.489373         0.577369
BFGS:    2 17:29:59      -96.502106         0.126772
BFGS:    3 17:29:59      -96.502980         0.086702
BFGS:    4 17:30:00      -96.503826         0.015039
BFGS:    5 17:30:00      -96.503834         0.013023
BFGS:    6 17:30:00      -96.503842         0.010801
BFGS:    7 17:30:00      -96.503856         0.011725
BFGS:    8 17:30:00      -96.503871         0.011593
BFGS:    9 17:30:00      -96.503878         0.005208
BFGS:   10 17:30:00      -96.503879         0.001231
BFGS:   11 17:30:00      -96.503879         0.000903
BFGS:   12 17:30:00      -96.503879         0.000823
BFGS:   13 17:30:00      -96.503879         0.000446
BFGS:   14 17:30:00      -96.503879         0.000178
BFGS:   15 17:30:00      -96.503879         0.000024
BFGS:   16 17:30:00      -96.503879         0.000003
BFGS:   17 17:30:00      -96.503879         0.000000
BFGS:   18 17:30:00      -96.503879         0.000000
Minimization converged after 18 steps.
Maximum force component: 4.704289953655002e-09 eV/Angstrom
Maximum stress component: 2.0674980920080354e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Re', 'Re', 'Re', 'Re', 'Re', 'Re', 'Re', 'Re', 'W', 'W', 'W', 'W']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.16923759 0.33847518 0.25      ]
 [0.66152482 0.83076241 0.25      ]
 [0.16923759 0.83076241 0.25      ]
 [0.83076241 0.66152482 0.75      ]
 [0.33847518 0.16923759 0.75      ]
 [0.83076241 0.16923759 0.75      ]
 [0.33333333 0.66666667 0.56367957]
 [0.66666667 0.33333333 0.06367957]
 [0.66666667 0.33333333 0.43632043]
 [0.33333333 0.66666667 0.93632043]]
cellpar =  Cell([[5.154019977805558, -4.2668199982511173e-19, 4.71114068303822e-38], [-2.577009988902779, 4.463512232392122, 1.1548397692254288e-38], [1.9442378278827916e-37, 7.076220783200007e-37, 8.370585386512957]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.18763304e-25  4.70428995e-09  1.28969288e-32]
 [-4.07403461e-09 -2.35214498e-09 -1.71959051e-32]
 [ 4.07403461e-09 -2.35214498e-09 -1.71959051e-32]
 [-5.99440435e-25 -4.70428995e-09  3.43918102e-32]
 [ 4.07403461e-09  2.35214498e-09  5.57384433e-47]
 [-4.07403461e-09  2.35214498e-09 -1.87407022e-47]
 [ 1.05880335e-31 -7.33560479e-32  6.58147196e-10]
 [-2.35583745e-31  2.29237650e-32  6.58147196e-10]
 [-1.79996570e-31  5.50170359e-32 -6.58147196e-10]
 [ 1.16468369e-31 -3.66780240e-32 -6.58147196e-10]]
stress =  [ 1.37473062e-11  1.37473062e-11 -2.06749809e-10 -4.39872322e-33
 -1.52376242e-33 -4.46565871e-27]
energy per atom =  -8.041989916800603
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0