element(s):
['Fe']
AFLOW prototype label:
A_hP2_194_c
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:
['2.4403', '1.5759538']
model name:
EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4403, 0, 0], [-1.22015, 2.1133617928552, 0], [0, 0, 3.8458]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:23       -8.129450         2.581744
BFGS:    1 14:56:23       -8.266550         1.745113
BFGS:    2 14:56:23       -8.388457         0.892544
BFGS:    3 14:56:23       -8.439020         0.204712
BFGS:    4 14:56:23       -8.441421         0.035475
BFGS:    5 14:56:23       -8.441450         0.020068
BFGS:    6 14:56:23       -8.441471         0.017578
BFGS:    7 14:56:23       -8.441511         0.014289
BFGS:    8 14:56:23       -8.441530         0.006350
BFGS:    9 14:56:23       -8.441534         0.002188
BFGS:   10 14:56:23       -8.441535         0.000258
BFGS:   11 14:56:23       -8.441535         0.000009
BFGS:   12 14:56:23       -8.441535         0.000000
BFGS:   13 14:56:23       -8.441535         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.1362211567273883e-33 eV/Angstrom
Maximum stress component: 7.249376906759594e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.554600672031017, -1.2189104194529362e-17, -7.273270899227023e-38], [-1.2773003360155084, 2.21234907850366, 6.65035826314859e-37], [2.4536331776960776e-36, -1.2980716965380667e-35, 4.144668877632178]])
forces =  [[ 6.55997591e-34  1.13622116e-33  3.04195816e-70]
 [-6.55997591e-34 -1.13622116e-33  3.32597579e-34]]
stress =  [-3.37377463e-10 -3.37377463e-10 -7.24937691e-10 -1.40025049e-35
 -2.42530499e-35  1.35773512e-25]
energy per atom =  -4.220767346166569
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0