element(s):
['Zr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5286']
model name:
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.5286, 0, 0], [0, 4.5286, 0], [0, 0, 4.5286]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:25:01      -25.752111        0.1459
BFGS:    1 17:25:01      -25.752951        0.1227
BFGS:    2 17:25:01      -25.755096        0.0089
BFGS:    3 17:25:01      -25.755108        0.0006
BFGS:    4 17:25:01      -25.755108        0.0000
BFGS:    5 17:25:01      -25.755108        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.9965751022046626e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.88201138e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.23327093e-40 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.5445246391528675, -2.260099218088635e-34, -9.766708488068702e-40], [4.520548712489056e-34, 4.5445246391528675, 1.5172888600572662e-23], [3.43058281368616e-33, 1.517288860012062e-23, 4.5445246391528675]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.99657510e-10 -1.99657510e-10 -1.99657510e-10  6.66079229e-27
  4.97350191e-35 -6.69193448e-51]
energy per atom =  -6.438777009050892
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0