element(s):
['Pb']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5121', '1.6714786']
model name:
MEAM_LAMMPS_KimLee_2017_MgPb__MO_325675357262_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pb']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.5121, 0, 0], [-1.75605, 3.0415678206313, 0], [0, 0, 5.8704]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:06:28       -4.062594        0.3730
BFGS:    1 15:06:28       -4.065913        0.3220
BFGS:    2 15:06:28       -4.073051        0.0695
BFGS:    3 15:06:28       -4.073211        0.0573
BFGS:    4 15:06:28       -4.073480        0.0666
BFGS:    5 15:06:28       -4.073866        0.0540
BFGS:    6 15:06:28       -4.074055        0.0224
BFGS:    7 15:06:28       -4.074089        0.0048
BFGS:    8 15:06:28       -4.074091        0.0007
BFGS:    9 15:06:28       -4.074091        0.0000
BFGS:   10 15:06:28       -4.074091        0.0000
BFGS:   11 15:06:28       -4.074091        0.0000
BFGS:   12 15:06:28       -4.074091        0.0000
Minimization converged after 12 steps.
Maximum force component: 2.1550464546476925e-32 eV/Angstrom
Maximum stress component: 8.109873722614156e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pb', 'Pb']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.4967627926449474, 2.1005046701191167e-18, 7.031592194425001e-38], [-1.7483813963224737, 3.0282854094387406, 1.234423199337648e-37], [-2.7860726587750477e-36, -8.286309256378667e-36, 5.728806433662173]])
forces =  [[-2.15504645e-32  1.86632498e-32  5.44094370e-70]
 [ 7.18348818e-33 -6.22108325e-33 -1.81364790e-70]]
stress =  [-8.10987372e-12 -8.10987372e-12 -9.76214989e-14 -1.48019274e-35
  1.79463832e-34  3.77744935e-27]
energy per atom =  -2.0370456081318236
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0