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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 10:59:04       -7.179962       355.102460
BFGS:    1 10:59:04      -20.880853       141.327521
BFGS:    2 10:59:04      -22.382376       173.521727
BFGS:    3 10:59:04      -27.449566        68.568318
BFGS:    4 10:59:04      -28.849566        30.022659
BFGS:    5 10:59:04      -29.295827        10.129216
BFGS:    6 10:59:05      -29.366918         2.532263
BFGS:    7 10:59:05      -29.372148         0.332619
BFGS:    8 10:59:05      -29.372259         0.066278
BFGS:    9 10:59:05      -29.372264         0.024517
BFGS:   10 10:59:05      -29.372265         0.003261
BFGS:   11 10:59:05      -29.372265         0.000362
BFGS:   12 10:59:05      -29.372265         0.000007
BFGS:   13 10:59:06      -29.372265         0.000000
BFGS:   14 10:59:06      -29.372265         0.000000
Minimization converged after 14 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.2940703476494772e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.974813203537106, -2.5873797107573626e-17, 8.045754631957827e-35], [-1.487406601768553, 2.5762638057765024, 1.5778648074901918e-34], [6.367605016290967e-34, 3.672112678531185e-33, 2.911892146179865]])
forces =  [[0. 0. 0.]]
stress =  [-2.29407035e-10 -2.29407035e-10 -3.48602822e-11  2.24973908e-43
  2.78974604e-44 -1.23720406e-26]
energy per atom =  -29.372265068502692
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0