element(s):
['Fe']
AFLOW prototype label:
A_tP1_123_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:
['2.2256', '1.0359004']
model name:
EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0 0 0]]
spacegroup =  123
cell =  [[2.2256, 0, 0], [0, 2.2256, 0], [0, 0, 2.3055]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:28:01       -3.297202        1.0141
BFGS:    1 17:28:01       -3.310954        0.6623
BFGS:    2 17:28:01       -3.313392        0.6127
BFGS:    3 17:28:01       -3.316328        0.1080
BFGS:    4 17:28:01       -3.316438        0.0136
BFGS:    5 17:28:01       -3.316440        0.0016
BFGS:    6 17:28:01       -3.316440        0.0004
BFGS:    7 17:28:01       -3.316440        0.0000
BFGS:    8 17:28:01       -3.316440        0.0000
BFGS:    9 17:28:01       -3.316440        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.4570094643361637e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.2370549665596045, -1.6209058593123856e-36, 3.3248015904602344e-35], [2.1353980282779346e-34, 2.2370549665596045, -2.4810246912542884e-19], [1.3850403731474302e-32, -2.4589041757074707e-19, 2.2370549665507338]])
forces =  [[0. 0. 0.]]
stress =  [-6.95920036e-12 -6.95920036e-12 -2.45700946e-11 -1.53739468e-26
 -1.09035316e-43 -7.17094126e-59]
energy per atom =  -3.17501879832491
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tP1_123_a, while relaxed is A_cP1_221_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.