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 15:23:22      -68.585329         0.845406
BFGS:    1 15:23:22      -68.614204         0.747318
BFGS:    2 15:23:22      -68.692110         0.273710
BFGS:    3 15:23:22      -68.702218         0.045373
BFGS:    4 15:23:22      -68.702487         0.001739
BFGS:    5 15:23:22      -68.702487         0.000010
BFGS:    6 15:23:22      -68.702487         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.5576346604618607e-31 eV/Angstrom
Maximum stress component: 1.2812986631135902e-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 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 4.76261378e-36]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [4.62361111e-36 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.054813471413176, 1.3258360957187133e-32, -1.423206505703043e-32], [-8.32785900023705e-33, 5.054813471413176, -8.250619081917426e-19], [2.0554763768329706e-33, -8.250619081917605e-19, 5.054813471413176]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.15369243e-32 -3.38989106e-51  2.07684621e-32]
 [-8.30738486e-32 -2.17895888e-64  2.33898328e-64]
 [ 2.07684621e-32 -1.55763466e-31  2.54241830e-50]
 [-5.13243937e-65  3.11526932e-32 -5.08483659e-51]
 [-9.33329014e-65  2.07684621e-32 -1.45379235e-31]
 [ 1.03842311e-32 -5.08483659e-51  3.11526932e-32]]
stress =  [-1.28129866e-10 -1.28129866e-10 -1.28129866e-10  4.87479332e-26
 -3.21602142e-34  4.75548372e-50]
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