element(s):
['Ni', 'W']
AFLOW prototype label:
A4B_tI10_87_h_a
Parameter names:
['a', 'c/a', 'x2', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6985', '0.61807493', '0.59951468', '0.19955391']
model name:
MEAM_LAMMPS_ShimParkCho_2003_NiW__MO_500937681860_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'W']
representative atom coordinates =  [[0.59951468 0.19955391 0.        ]
 [0.         0.         0.        ]]
spacegroup =  87
cell =  [[5.6985, 0, 0], [0, 5.6985, 0], [0, 0, 3.5221]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:51:11      -53.533370         0.546745
BFGS:    1 16:51:12      -53.553382         0.460265
BFGS:    2 16:51:12      -53.585505         0.190602
BFGS:    3 16:51:12      -53.587956         0.155371
BFGS:    4 16:51:12      -53.594349         0.077745
BFGS:    5 16:51:12      -53.595764         0.034547
BFGS:    6 16:51:12      -53.596028         0.007347
BFGS:    7 16:51:12      -53.596037         0.007392
BFGS:    8 16:51:12      -53.596039         0.008659
BFGS:    9 16:51:12      -53.596046         0.010978
BFGS:   10 16:51:12      -53.596057         0.012274
BFGS:   11 16:51:12      -53.596073         0.011516
BFGS:   12 16:51:12      -53.596090         0.008537
BFGS:   13 16:51:12      -53.596110         0.009029
BFGS:   14 16:51:13      -53.596131         0.007372
BFGS:   15 16:51:13      -53.596150         0.005850
BFGS:   16 16:51:13      -53.596158         0.002778
BFGS:   17 16:51:13      -53.596160         0.000691
BFGS:   18 16:51:13      -53.596160         0.000091
BFGS:   19 16:51:13      -53.596160         0.000011
BFGS:   20 16:51:14      -53.596160         0.000001
BFGS:   21 16:51:14      -53.596160         0.000000
BFGS:   22 16:51:14      -53.596160         0.000000
Minimization converged after 22 steps.
Maximum force component: 8.478941180194142e-09 eV/Angstrom
Maximum stress component: 6.986909176143584e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'W', 'W']
basis =  [[6.00171149e-01 1.97144742e-01 3.25212206e-34]
 [3.99828851e-01 8.02855258e-01 0.00000000e+00]
 [8.02855258e-01 6.00171149e-01 2.16808137e-34]
 [1.97144742e-01 3.99828851e-01 4.33616275e-34]
 [1.00171149e-01 6.97144742e-01 5.00000000e-01]
 [8.99828851e-01 3.02855258e-01 5.00000000e-01]
 [3.02855258e-01 1.00171149e-01 5.00000000e-01]
 [6.97144742e-01 8.99828851e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[5.727377348132951, -2.7931130745261514e-19, -8.937537860251988e-32], [2.7931130745261514e-19, 5.727377348132951, -4.445334668015321e-18], [6.933115462264421e-32, -2.7401674271957007e-18, 3.553242914043352]])
forces =  [[ 8.47894118e-09  2.70545336e-09 -2.09989594e-27]
 [-8.47894118e-09 -2.70545336e-09  2.09985214e-27]
 [-2.70545336e-09  8.47894118e-09 -6.58097570e-27]
 [ 2.70545336e-09 -8.47894118e-09  6.58099760e-27]
 [ 8.47894118e-09  2.70545336e-09 -2.09987404e-27]
 [-8.47894118e-09 -2.70545336e-09  2.09985214e-27]
 [-2.70545336e-09  8.47894118e-09 -6.58097570e-27]
 [ 2.70545336e-09 -8.47894118e-09  6.58099760e-27]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 6.98690918e-10  6.98690918e-10  2.69211083e-10  3.02837581e-34
  4.54256359e-34 -2.14258051e-45]
energy per atom =  -5.359616019680471
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0