element(s):
['W']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0614']
model name:
Sim_LAMMPS_MEAM_ParkFellingerLenosky_2012_W__SM_163270462402_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['W']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.0614, 0, 0], [0, 4.0614, 0], [0, 0, 4.0614]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:01      -33.549513         1.312337
BFGS:    1 16:23:01      -33.609049         0.804918
BFGS:    2 16:23:01      -33.645402         0.011903
BFGS:    3 16:23:01      -33.645410         0.000056
BFGS:    4 16:23:01      -33.645410         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.595750417110616e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W', 'W', 'W']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.17206218e-38]]
cellpar =  Cell([[4.011713260418489, -1.0280078609611853e-33, -1.3400878685947806e-33], [4.090952763198026e-36, 4.011713260418489, -4.83273407455928e-22], [1.5995188963120923e-32, -4.832734074692736e-22, 4.011713260418489]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.59575042e-10  4.59575042e-10  4.59575042e-10  2.00539541e-25
 -3.19116639e-35  6.93307740e-52]
energy per atom =  -8.411352518598576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0