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 16:47:05      -68.465439         1.196430
BFGS:    1 16:47:05      -68.523122         1.053014
BFGS:    2 16:47:05      -68.648730         0.617719
BFGS:    3 16:47:05      -68.706362         0.142505
BFGS:    4 16:47:05      -68.709378         0.009073
BFGS:    5 16:47:05      -68.709390         0.000110
BFGS:    6 16:47:05      -68.709390         0.000000
BFGS:    7 16:47:05      -68.709390         0.000000
Minimization converged after 7 steps.
Maximum force component: 1.6522001920496516e-31 eV/Angstrom
Maximum stress component: 4.748120278238444e-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 7.66296787e-35 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [2.00666610e-36 5.00000000e-01 2.50000000e-01]
 [2.18798696e-35 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.026590156357448, 3.0251428948390036e-32, 2.8245307011496355e-33], [2.7914175227133564e-32, 5.026590156357448, 4.336410227357861e-18], [-2.625556649375871e-32, 4.3364102273578935e-18, 5.026590156357448]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.26100096e-32 -4.97170201e-64 -4.64200385e-65]
 [ 8.26100096e-32  4.97170201e-64  4.64200385e-65]
 [ 9.17516731e-64  1.65220019e-31  1.42534354e-49]
 [-9.17516731e-64 -1.65220019e-31 -1.42534354e-49]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-4.74812028e-14 -4.74812028e-14 -4.74812028e-14  1.05160187e-29
 -2.05387537e-62 -6.10373996e-63]
energy per atom =  -8.588673703125117
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0