element(s):
['Mo']
AFLOW prototype label:
A_hP4_194_ac
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:
['2.7695', '3.5762773']
model name:
SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Mo']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.7695, 0, 0], [-1.38475, 2.398457355781, 0], [0, 0, 9.9045]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:21:09      -41.881838        0.9059
BFGS:    1 15:21:09      -41.894902        0.8541
BFGS:    2 15:21:09      -41.931527        0.5762
BFGS:    3 15:21:09      -41.947745        0.4960
BFGS:    4 15:21:09      -41.954906        0.5000
BFGS:    5 15:21:09      -41.975723        0.2631
BFGS:    6 15:21:09      -41.979730        0.0349
BFGS:    7 15:21:09      -41.979801        0.0013
BFGS:    8 15:21:09      -41.979801        0.0000
BFGS:    9 15:21:09      -41.979801        0.0000
BFGS:   10 15:21:09      -41.979801        0.0000
Minimization converged after 10 steps.
Maximum force component: 2.906090603109029e-32 eV/Angstrom
Maximum stress component: 3.006249246499384e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.31706292e-51 6.63412584e-51 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.7912429684520412, 3.003269056566696e-18, 6.200202193632064e-36], [-1.3956214842260206, 2.4172873188141533, 1.1101118381618139e-35], [2.275416627972991e-35, 6.786030484943778e-35, 9.43080319321287]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.80463469e-49  1.98635777e-32 -2.90609060e-32]
 [ 2.29364839e-32 -1.98635777e-32 -6.57467681e-68]]
stress =  [ 3.00624925e-10  3.00624925e-10  1.22008691e-10 -3.60455988e-34
 -4.31607863e-44  5.78895496e-26]
energy per atom =  -6.269504154294563
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0