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:
MEAM_LAMMPS_LeeShimPark_2001_FeCr__MO_150993986463_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 10:59:26       -8.075626         3.113872
BFGS:    1 10:59:27       -8.339897         1.869886
BFGS:    2 10:59:27       -8.488818         0.765785
BFGS:    3 10:59:27       -8.519292         0.196308
BFGS:    4 10:59:27       -8.520533         0.079282
BFGS:    5 10:59:27       -8.520683         0.055682
BFGS:    6 10:59:27       -8.521041         0.054808
BFGS:    7 10:59:27       -8.521305         0.037864
BFGS:    8 10:59:28       -8.521408         0.012989
BFGS:    9 10:59:28       -8.521420         0.003120
BFGS:   10 10:59:28       -8.521420         0.000162
BFGS:   11 10:59:28       -8.521420         0.000010
BFGS:   12 10:59:28       -8.521420         0.000000
BFGS:   13 10:59:28       -8.521420         0.000000
Minimization converged after 13 steps.
Maximum force component: 6.796263278535397e-32 eV/Angstrom
Maximum stress component: 2.8382825068288376e-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([[2.5628724015437805, -5.105498541886379e-18, -1.193361151055348e-36], [-1.2814362007718902, 2.2195126063949466, -2.2453928194574233e-36], [-1.7605974595706448e-36, -4.795137909521448e-35, 4.135337867685346]])
forces =  [[-7.23933863e-33  3.41970063e-33  6.79626328e-32]
 [ 7.23933863e-33 -3.41970063e-33 -6.79626328e-32]]
stress =  [-1.12412356e-10 -1.12412356e-10 -2.83828251e-10  1.39888049e-34
  2.42293208e-34 -5.21821165e-26]
energy per atom =  -4.260710028888776
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0