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 15:08:25       -4.062594         0.372974
BFGS:    1 15:08:25       -4.065913         0.322008
BFGS:    2 15:08:25       -4.073051         0.069540
BFGS:    3 15:08:25       -4.073211         0.057280
BFGS:    4 15:08:25       -4.073480         0.066566
BFGS:    5 15:08:25       -4.073866         0.053967
BFGS:    6 15:08:25       -4.074055         0.022438
BFGS:    7 15:08:25       -4.074089         0.004764
BFGS:    8 15:08:25       -4.074091         0.000658
BFGS:    9 15:08:25       -4.074091         0.000046
BFGS:   10 15:08:25       -4.074091         0.000002
BFGS:   11 15:08:25       -4.074091         0.000000
BFGS:   12 15:08:25       -4.074091         0.000000
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, 2.1005049509967883e-18, -7.663832302187546e-38], [-1.7483813963224737, 3.0282854094387406, -1.427575537629069e-37], [-3.146399231947491e-36, -1.6432672773046738e-36, 5.728806433662173]])
forces =  [[-2.15504645e-32  1.86632498e-32 -6.43651286e-70]
 [ 7.18348818e-33 -6.22108325e-33  2.14550429e-70]]
stress =  [-8.10987372e-12 -8.10987372e-12 -9.76214989e-14 -1.48019274e-35
  7.69130709e-35  3.72530392e-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