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:
Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Fe__SM_267016608755_001
==== 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 14:57:43       -8.174803         2.730412
BFGS:    1 14:57:43       -8.398894         1.733015
BFGS:    2 14:57:44       -8.548131         0.676759
BFGS:    3 14:57:44       -8.576160         0.143484
BFGS:    4 14:57:44       -8.576972         0.049194
BFGS:    5 14:57:44       -8.577022         0.035934
BFGS:    6 14:57:44       -8.577148         0.031916
BFGS:    7 14:57:44       -8.577246         0.023541
BFGS:    8 14:57:44       -8.577288         0.008001
BFGS:    9 14:57:44       -8.577293         0.002036
BFGS:   10 14:57:44       -8.577293         0.000132
BFGS:   11 14:57:44       -8.577293         0.000007
BFGS:   12 14:57:44       -8.577293         0.000000
BFGS:   13 14:57:44       -8.577293         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.6871894343710232e-32 eV/Angstrom
Maximum stress component: 2.754878781578403e-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([[2.5679294054203896, -3.290750717974553e-17, 8.378847066250284e-37], [-1.2839647027101948, 2.223892100219127, 1.2644574472617084e-36], [4.186109513006994e-37, 1.1699569957355431e-35, 4.106432062423977]])
forces =  [[-5.27536228e-33  9.13719550e-33 -1.68718943e-32]
 [ 5.27536228e-33 -9.13719550e-33  1.68718943e-32]]
stress =  [-1.29591474e-10 -1.29591474e-10 -2.75487878e-10 -2.24952516e-34
 -8.97376927e-46 -2.27822418e-26]
energy per atom =  -4.288646620742885
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0