element(s):
['Mo']
AFLOW prototype label:
A_hP1_191_a
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:
['2.7779', '0.90949998']
model name:
SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.7779, 0, 0], [-1.38895, 2.4057319691728, 0], [0, 0, 2.5265]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:31:07       -9.868800         2.032535
BFGS:    1 15:31:07       -9.937707         0.119091
BFGS:    2 15:31:07       -9.937854         0.039474
BFGS:    3 15:31:07       -9.937871         0.001747
BFGS:    4 15:31:07       -9.937871         0.000023
BFGS:    5 15:31:07       -9.937871         0.000000
BFGS:    6 15:31:07       -9.937871         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.544225095507589e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.709115877578765, 2.1112197191638184e-17, -1.1994264525168703e-39], [-1.3545579387893825, 2.346163171778984, -6.306404013146654e-40], [-3.139909735607143e-36, -7.594214562675481e-37, 2.5937469683498073]])
forces =  [[0. 0. 0.]]
stress =  [ 1.54422510e-10  1.54422510e-10 -1.33909532e-10 -6.32972237e-35
  1.74608999e-46  6.85098629e-26]
energy per atom =  -5.712425388462445
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0