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:
SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_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 17:05:53      -41.858760        0.9372
BFGS:    1 17:05:53      -41.891761        0.6984
BFGS:    2 17:05:53      -41.920768        0.2734
BFGS:    3 17:05:53      -41.924506        0.0417
BFGS:    4 17:05:53      -41.924602        0.0019
BFGS:    5 17:05:53      -41.924602        0.0000
BFGS:    6 17:05:53      -41.924602        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.8746522120934994e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [2.1464538e-50 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 0.0000000e+00 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.9846406463271262, 8.393569752822157e-33, -4.626947141134316e-33], [1.5400908375719617e-33, 3.9846406463271262, 8.356146721657274e-18], [5.031071663614127e-33, 8.356146721657267e-18, 3.9846406463271262]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.87465221e-10  2.87465221e-10  2.87465221e-10  6.49989678e-27
 -4.44768063e-35 -8.32490280e-52]
energy per atom =  -6.255704472889447
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0