element(s):
['W']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2041']
model name:
EAM_Dynamo_BonnyBakaevTerentyev_2017_WRe__MO_234187151804_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['W']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.2041, 0, 0], [0, 3.2041, 0], [0, 0, 3.2041]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 18:13:19      -17.688250        1.9040
BFGS:    1 18:13:19      -17.788699        0.5832
BFGS:    2 18:13:19      -17.799915        0.0373
BFGS:    3 18:13:19      -17.799960        0.0010
BFGS:    4 18:13:19      -17.799960        0.0000
BFGS:    5 18:13:19      -17.799960        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.675065130414632e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.139999882140457, -7.212298334684657e-33, -3.717104279939743e-33], [-1.3143570417690817e-32, 3.1399998821404567, 4.196548857898225e-19], [3.7251722733542765e-33, 4.196548857898165e-19, 3.139999882140457]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.67506513e-12  7.67506513e-12  7.67506513e-12 -1.31696971e-30
 -1.04178944e-34  1.58711206e-55]
energy per atom =  -8.89998000656631
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0