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_Lenosky_2017_W__SM_631352869360_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 16:47:05      -68.585329         0.845406
BFGS:    1 16:47:05      -68.614204         0.747318
BFGS:    2 16:47:05      -68.692110         0.273710
BFGS:    3 16:47:05      -68.702218         0.045373
BFGS:    4 16:47:05      -68.702487         0.001739
BFGS:    5 16:47:05      -68.702487         0.000010
BFGS:    6 16:47:05      -68.702487         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.336451990692791e-32 eV/Angstrom
Maximum stress component: 1.281301901107317e-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 1.19065345e-36 5.00000000e-01]
 [7.50000000e-01 4.76261378e-36 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.19065345e-36]
 [5.00000000e-01 7.50000000e-01 1.19065345e-36]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [1.53597929e-36 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.054813471413176, -1.9461203029258346e-32, -1.787329696503202e-33], [6.703467435687715e-33, 5.054813471413176, -6.813107222955387e-20], [-4.583747920617813e-34, -6.813107222955388e-20, 5.054813471413176]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.33645199e-32  4.54310109e-33  1.55763466e-32]
 [ 1.68743755e-32  1.55763466e-32 -1.03842311e-32]
 [ 1.03842311e-32  7.78817330e-33  1.29802888e-32]
 [-1.55763466e-32  2.59605777e-33 -1.03842311e-32]
 [-1.39538105e-32  1.55763466e-32  5.19211553e-33]
 [ 1.03842311e-32 -1.03842311e-32  1.29802888e-33]]
stress =  [-1.28130190e-10 -1.28130190e-10 -1.28130190e-10 -7.51774509e-28
 -1.60801071e-34  2.66627712e-51]
energy per atom =  -8.587810877480054
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0