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:
Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_W__SM_163270462402_000
==== 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 14:28:27      -68.465439        1.1964
BFGS:    1 14:28:27      -68.523122        1.0530
BFGS:    2 14:28:27      -68.648730        0.6177
BFGS:    3 14:28:27      -68.706362        0.1425
BFGS:    4 14:28:27      -68.709378        0.0091
BFGS:    5 14:28:27      -68.709390        0.0001
BFGS:    6 14:28:27      -68.709390        0.0000
BFGS:    7 14:28:27      -68.709390        0.0000
Minimization converged after 7 steps.
Maximum force component: 2.0652502400620645e-32 eV/Angstrom
Maximum stress component: 4.736654243590527e-14 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 0.00000000e+00 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]
 [1.98736921e-35 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.026590156357448, 8.994609633896958e-33, -1.6841363716287366e-33], [4.278515891482609e-35, 5.026590156357448, 4.3955011533287e-18], [2.1838781078682757e-32, 4.3955011533286976e-18, 5.026590156357448]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.06525024e-32  3.69557078e-65 -6.91952783e-66]
 [-2.06525024e-32 -3.69557078e-65  6.91952783e-66]
 [ 1.75789267e-67  2.06525024e-32  1.80595782e-50]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-4.73665424e-14 -4.73665424e-14 -4.73665424e-14  1.02792087e-29
  3.25223746e-34 -5.83749925e-50]
energy per atom =  -8.588673703125123
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0