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 15:26:36      -41.881838         0.905907
BFGS:    1 15:26:36      -41.894902         0.854069
BFGS:    2 15:26:36      -41.931527         0.576198
BFGS:    3 15:26:36      -41.947745         0.496041
BFGS:    4 15:26:36      -41.954906         0.500003
BFGS:    5 15:26:36      -41.975723         0.263109
BFGS:    6 15:26:36      -41.979730         0.034857
BFGS:    7 15:26:36      -41.979801         0.001257
BFGS:    8 15:26:36      -41.979801         0.000015
BFGS:    9 15:26:36      -41.979801         0.000000
BFGS:   10 15:26:36      -41.979801         0.000000
Minimization converged after 10 steps.
Maximum force component: 2.1795679523317716e-32 eV/Angstrom
Maximum stress component: 3.0062535759571077e-10 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([[2.7912429684520412, 4.485497924175698e-18, -1.3660192980707208e-35], [-1.3956214842260206, 2.4172873188141537, -2.0927829356422988e-35], [-4.885520012326126e-35, -4.3368797080295585e-35, 9.43080319321287]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.12910031e-67 -1.00230318e-67  2.17956795e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 3.00625358e-10  3.00625358e-10  1.22008737e-10  4.50569986e-34
 -1.56082021e-34  1.39742657e-26]
energy per atom =  -6.269504154294576
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0