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_LiChenZheng_2019_NbTaWMo__MO_560387080449_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 14:38:57        0.944312        1.6255
BFGS:    1 14:38:58        0.898121        0.3294
BFGS:    2 14:38:58        0.896479        0.0737
BFGS:    3 14:38:58        0.896422        0.0033
BFGS:    4 14:38:58        0.896422        0.0000
BFGS:    5 14:38:58        0.896422        0.0000
BFGS:    6 14:38:58        0.896422        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4313686192351432e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.7322169416052695, 1.0297816897747055e-17, -1.5745424619819764e-36], [-1.3661084708026348, 2.3661692800803884, -1.731221819497786e-36], [-2.952211004448335e-36, 1.2745016452951898e-36, 2.457917883862137]])
forces =  [[0. 0. 0.]]
stress =  [-1.43136862e-12 -1.43136862e-12 -1.02061565e-12 -4.41535921e-35
 -7.64762648e-35  2.38026618e-29]
energy per atom =  -5.980625682588249
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0