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 18:14:48      -53.533370        0.5467
BFGS:    1 18:14:48      -53.553382        0.4603
BFGS:    2 18:14:48      -53.585505        0.1906
BFGS:    3 18:14:48      -53.587956        0.1554
BFGS:    4 18:14:48      -53.594349        0.0777
BFGS:    5 18:14:48      -53.595764        0.0345
BFGS:    6 18:14:48      -53.596028        0.0073
BFGS:    7 18:14:48      -53.596037        0.0074
BFGS:    8 18:14:48      -53.596039        0.0087
BFGS:    9 18:14:48      -53.596046        0.0110
BFGS:   10 18:14:48      -53.596057        0.0123
BFGS:   11 18:14:48      -53.596073        0.0115
BFGS:   12 18:14:48      -53.596090        0.0085
BFGS:   13 18:14:48      -53.596110        0.0090
BFGS:   14 18:14:48      -53.596131        0.0074
BFGS:   15 18:14:48      -53.596150        0.0058
BFGS:   16 18:14:48      -53.596158        0.0028
BFGS:   17 18:14:48      -53.596160        0.0007
BFGS:   18 18:14:48      -53.596160        0.0001
BFGS:   19 18:14:48      -53.596160        0.0000
BFGS:   20 18:14:48      -53.596160        0.0000
BFGS:   21 18:14:48      -53.596160        0.0000
BFGS:   22 18:14:48      -53.596160        0.0000
Minimization converged after 22 steps.
Maximum force component: 8.478942825847023e-09 eV/Angstrom
Maximum stress component: 6.986900755873915e-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 1.01628814e-35]
 [3.99828851e-01 8.02855258e-01 1.35505086e-35]
 [8.02855258e-01 6.00171149e-01 3.38762715e-35]
 [1.97144742e-01 3.99828851e-01 2.03257629e-35]
 [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]
 [4.66664679e-52 3.89654479e-17 2.25661299e-51]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[5.727377348132947, 2.0790146038374077e-19, -5.051163009174352e-32], [-2.079014603837406e-19, 5.727377348132952, -3.204439574931165e-19], [2.58175379853275e-32, -1.9779947511199332e-19, 3.5532429140433512]])
forces =  [[ 8.47894283e-09  2.70544783e-09 -1.51346582e-28]
 [-8.47894283e-09 -2.70544783e-09  1.51368481e-28]
 [-2.70544783e-09  8.47894283e-09 -4.74392698e-28]
 [ 2.70544783e-09 -8.47894283e-09  4.74392698e-28]
 [ 8.47894283e-09  2.70544783e-09 -1.51346582e-28]
 [-8.47894283e-09 -2.70544783e-09  1.51368481e-28]
 [-2.70544783e-09  8.47894283e-09 -4.74392698e-28]
 [ 2.70544783e-09 -8.47894283e-09  4.74392698e-28]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 6.98690076e-10  6.98690076e-10  2.69210062e-10 -2.43088464e-25
 -4.32374918e-42  4.36804103e-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