element(s):
['Mo']
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:
['4.028']
model name:
Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.028, 0, 0], [0, 4.028, 0], [0, 0, 4.028]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:27:07      -88.439461         0.224852
BFGS:    1 15:27:07      -88.441376         0.172816
BFGS:    2 15:27:07      -88.444214         0.006046
BFGS:    3 15:27:07      -88.444218         0.000168
BFGS:    4 15:27:07      -88.444218         0.000000
BFGS:    5 15:27:07      -88.444218         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.816264388937349e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.05789797e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.042378036324929, 3.14240565310521e-33, 1.502837460579717e-34], [-5.109077990134161e-34, 4.042378036324929, 1.1681744241848477e-20], [2.233577142855843e-34, 1.168174424184844e-20, 4.042378036324929]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.81626439e-13 -2.81626439e-13 -2.81626439e-13 -2.70778843e-29
  1.64512992e-35  1.14262973e-51]
energy per atom =  -4.83525865621888
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0