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_Mendelev_2007_Zr__MO_848899341753_000
==== 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 17:24:58      -26.320720        0.0701
BFGS:    1 17:24:58      -26.320917        0.0615
BFGS:    2 17:24:58      -26.321578        0.0001
BFGS:    3 17:24:58      -26.321578        0.0000
BFGS:    4 17:24:58      -26.321578        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.223588600719872e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.88994161e-52 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.29521186e-39 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.537845849471394, 7.604051739616694e-34, -2.168432200035057e-34], [2.9180140154343927e-35, 4.537845849471394, 7.802428242806503e-23], [1.7034120890382507e-34, 7.802428242809378e-23, 4.537845849471394]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-5.22358860e-14 -5.22358860e-14 -5.22358860e-14  1.53033275e-30
 -2.24466869e-34  2.36227623e-51]
energy per atom =  -6.580394576122863
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0