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_SetyawanGaoKurtz_2018_ReW__MO_680820064987_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 19:25:57      -99.120012        1.5369
BFGS:    1 19:25:57      -99.237706        1.3680
BFGS:    2 19:25:57      -99.425069        0.9597
BFGS:    3 19:25:57      -99.523684        0.5115
BFGS:    4 19:25:57      -99.561170        0.3633
BFGS:    5 19:25:57      -99.571951        0.1918
BFGS:    6 19:25:57      -99.575261        0.0476
BFGS:    7 19:25:57      -99.575440        0.0332
BFGS:    8 19:25:57      -99.575551        0.0153
BFGS:    9 19:25:57      -99.575584        0.0115
BFGS:   10 19:25:57      -99.575596        0.0123
BFGS:   11 19:25:57      -99.575603        0.0138
BFGS:   12 19:25:57      -99.575619        0.0148
BFGS:   13 19:25:57      -99.575639        0.0121
BFGS:   14 19:25:57      -99.575655        0.0055
BFGS:   15 19:25:57      -99.575659        0.0016
BFGS:   16 19:25:57      -99.575660        0.0002
BFGS:   17 19:25:57      -99.575660        0.0000
BFGS:   18 19:25:57      -99.575660        0.0000
BFGS:   19 19:25:57      -99.575660        0.0000
BFGS:   20 19:25:57      -99.575660        0.0000
Minimization converged after 20 steps.
Maximum force component: 9.425363371119082e-10 eV/Angstrom
Maximum stress component: 1.94229611622818e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Re', 'Re', 'Re', 'Re', 'Re', 'Re', 'Re', 'Re', 'W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.31138343e-53 1.52080424e-52 5.00000000e-01]
 [1.70122542e-01 3.40245083e-01 2.50000000e-01]
 [6.59754917e-01 8.29877458e-01 2.50000000e-01]
 [1.70122542e-01 8.29877458e-01 2.50000000e-01]
 [8.29877458e-01 6.59754917e-01 7.50000000e-01]
 [3.40245083e-01 1.70122542e-01 7.50000000e-01]
 [8.29877458e-01 1.70122542e-01 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 5.63804779e-01]
 [6.66666667e-01 3.33333333e-01 6.38047787e-02]
 [6.66666667e-01 3.33333333e-01 4.36195221e-01]
 [3.33333333e-01 6.66666667e-01 9.36195221e-01]]
cellpar =  Cell([[5.073372973299607, 1.939574302178775e-17, 2.945204646203923e-38], [-2.5366864866498036, 4.39366987775085, -4.27330338184078e-37], [1.033484700503441e-36, 4.5494350943894744e-36, 8.264492796575714]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.22238853e-29  1.96972033e-11 -1.84974094e-48]
 [-1.70582784e-11 -9.84860163e-12  6.79118257e-32]
 [ 1.70582784e-11 -9.84860163e-12 -1.01867739e-31]
 [-5.22238853e-29 -1.96972033e-11  1.35823651e-31]
 [ 1.70582784e-11  9.84860163e-12 -1.35823651e-31]
 [-1.70582784e-11  9.84860163e-12  1.35823651e-31]
 [-4.16894333e-32 -7.22082166e-32 -9.42536337e-10]
 [-1.87602450e-31  3.61041083e-32 -9.42536337e-10]
 [-1.45913017e-31  1.08312325e-31  9.42536337e-10]
 [-1.04223583e-31  1.80520542e-31  9.42536337e-10]]
stress =  [ 1.37869692e-11  1.37869692e-11  1.94229612e-11  7.92051857e-34
 -1.95982008e-34  5.09601562e-27]
energy per atom =  -8.29797165750517
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0