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_LiHuChen_2018_NiMo__MO_468686727341_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 16:14:37      -41.436115         1.644019
BFGS:    1 16:14:37      -41.491182         1.507424
BFGS:    2 16:14:37      -41.587515         1.200764
BFGS:    3 16:14:37      -41.658527         0.874722
BFGS:    4 16:14:37      -41.705972         0.532959
BFGS:    5 16:14:37      -41.730932         0.181620
BFGS:    6 16:14:37      -41.735511         0.050668
BFGS:    7 16:14:37      -41.735607         0.041354
BFGS:    8 16:14:37      -41.735818         0.023336
BFGS:    9 16:14:37      -41.735848         0.007383
BFGS:   10 16:14:37      -41.735851         0.000441
BFGS:   11 16:14:37      -41.735851         0.000058
BFGS:   12 16:14:37      -41.735851         0.000003
BFGS:   13 16:14:37      -41.735851         0.000000
BFGS:   14 16:14:37      -41.735851         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.4073958205197817e-31 eV/Angstrom
Maximum stress component: 1.907955448950219e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]]
cellpar =  Cell([[2.8545378506249643, 1.4653320804534212e-18, 6.115357662734055e-36], [-1.4272689253124822, 2.47210229470545, 1.2892708713879022e-35], [2.3637807152147987e-35, 5.021098414559787e-35, 9.277678010658637]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.40739582e-31  1.21884053e-31  3.81187368e-32]
 [ 9.38263880e-32 -4.06280178e-32 -6.11313332e-68]]
stress =  [-1.70502608e-11 -1.70502608e-11  1.90795545e-11  8.95701859e-34
  3.10280226e-34 -5.49454672e-28]
energy per atom =  -2.7097421937597765
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0