element(s):
['Cr']
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:
['3.0849', '1.6535058']
model name:
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0849, 0, 0], [-1.54245, 2.6716017681346, 0], [0, 0, 5.1009]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:49:51       -5.507965         3.562347
BFGS:    1 10:49:51       -6.093641         4.322489
BFGS:    2 10:49:52       -6.694854         3.975529
BFGS:    3 10:49:52       -7.115915         2.563710
BFGS:    4 10:49:52       -7.472892         2.601052
BFGS:    5 10:49:52       -7.810354         2.218928
BFGS:    6 10:49:52       -8.055205         1.369436
BFGS:    7 10:49:52       -8.149627         0.574502
BFGS:    8 10:49:52       -8.154622         0.395969
BFGS:    9 10:49:52       -8.163296         0.288537
BFGS:   10 10:49:52       -8.166731         0.127192
BFGS:   11 10:49:52       -8.167389         0.003456
BFGS:   12 10:49:53       -8.167389         0.000038
BFGS:   13 10:49:53       -8.167389         0.000000
BFGS:   14 10:49:53       -8.167389         0.000000
Minimization converged after 14 steps.
Maximum force component: 4.259073593696308e-32 eV/Angstrom
Maximum stress component: 2.0332094678553824e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.591528254783357, 6.786695722490946e-17, -1.6526139423278613e-35], [-1.2957641273916785, 2.2443293032675373, -2.7774400222603903e-36], [-1.0752215871500081e-35, 1.889595737948702e-35, 4.119548417638542]])
forces =  [[-4.25907359e-32  1.84423296e-32  1.80877334e-67]
 [ 4.25907359e-32 -1.84423296e-32 -1.80877334e-67]]
stress =  [-2.03320947e-11 -2.03320947e-11  2.05210811e-12 -8.88777413e-34
  1.53940764e-33  8.17771613e-27]
energy per atom =  -4.083694662034049
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0