element(s):
['Y']
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:
['3.6555', '1.5493093']
model name:
MEAM_LAMMPS_KimJeonLee_2015_MgY__MO_018428823000_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Y']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.6555, 0, 0], [-1.82775, 3.165755863534, 0], [0, 0, 5.6635]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:56:58       -8.737500         0.241087
BFGS:    1 10:56:58       -8.738329         0.209170
BFGS:    2 10:56:58       -8.740677         0.063979
BFGS:    3 10:56:58       -8.740822         0.063157
BFGS:    4 10:56:58       -8.741324         0.030116
BFGS:    5 10:56:58       -8.741396         0.010782
BFGS:    6 10:56:59       -8.741406         0.001415
BFGS:    7 10:56:59       -8.741406         0.000070
BFGS:    8 10:56:59       -8.741406         0.000003
BFGS:    9 10:56:59       -8.741406         0.000000
BFGS:   10 10:56:59       -8.741406         0.000000
Minimization converged after 10 steps.
Maximum force component: 4.7346850313889665e-32 eV/Angstrom
Maximum stress component: 1.2516036419782314e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Y', 'Y']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.646392588893692, -2.7275523811808407e-18, -1.0661713789151889e-37], [-1.823196294446846, 3.1578686141532444, 1.276367622389412e-37], [-1.7529573685629146e-37, -4.958444657675109e-37, 5.761849269054563]])
forces =  [[-3.74543823e-33  6.48728931e-33 -4.73468503e-32]
 [ 3.74543823e-33 -6.48728931e-33  4.73468503e-32]]
stress =  [-2.07919107e-12 -2.07919107e-12 -1.25160364e-11  3.66941321e-34
  4.88893086e-35  8.58122841e-29]
energy per atom =  -4.370703138870616
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0