element(s):
['W']
AFLOW prototype label:
A_cP8_223_ac
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.1104']
model name:
EAM_MagneticCubic_DerletNguyenDudarev_2007_W__MO_195478838873_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['W', 'W']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.1104, 0, 0], [0, 5.1104, 0], [0, 0, 5.1104]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:47:06      -68.159136         2.355316
BFGS:    1 16:47:06      -68.349460         1.434166
BFGS:    2 16:47:06      -68.475716         0.293512
BFGS:    3 16:47:06      -68.482127         0.041336
BFGS:    4 16:47:06      -68.482262         0.001510
BFGS:    5 16:47:06      -68.482263         0.000008
BFGS:    6 16:47:06      -68.482263         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.244267528793764e-31 eV/Angstrom
Maximum stress component: 1.01959053489516e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W', 'W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 1.90786296e-35 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.047348735103714, 2.2531276136354854e-33, -3.830339293038699e-33], [9.773451870980407e-33, 5.047348735103714, 1.1366505822023244e-18], [-8.692099414051643e-34, 1.1366505822023242e-18, 5.047348735103714]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.14276794e-65 -2.80206002e-50 -1.24426753e-31]
 [ 1.60622794e-64  8.29511686e-32  1.86804001e-50]
 [-8.29511686e-32 -3.70292560e-65  6.29501025e-65]
 [-1.42851196e-65  1.86804001e-50  8.29511686e-32]
 [-2.40934190e-64 -1.24426753e-31 -2.80206002e-50]
 [ 4.14755843e-32  1.85146280e-65 -3.14750513e-65]]
stress =  [ 1.01959053e-10  1.01959053e-10  1.01959053e-10 -8.86524177e-31
  6.45108214e-34  6.16117281e-50]
energy per atom =  -8.560282831913666
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74
 Potential info: W potential
 Atomic number:           74