element(s):
['Na']
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:
['3.669', '1.6326519']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Na__MO_636041334617_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Na']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.669, 0, 0], [-1.8345, 3.1774472064851, 0], [0, 0, 5.9902]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:04:29       -2.183806         0.253325
BFGS:    1 15:04:29       -2.186414         0.242126
BFGS:    2 15:04:29       -2.211275         0.106990
BFGS:    3 15:04:29       -2.218310         0.018086
BFGS:    4 15:04:29       -2.218503         0.001487
BFGS:    5 15:04:29       -2.218503         0.000983
BFGS:    6 15:04:29       -2.218503         0.000923
BFGS:    7 15:04:29       -2.218504         0.000610
BFGS:    8 15:04:29       -2.218504         0.000461
BFGS:    9 15:04:29       -2.218504         0.000152
BFGS:   10 15:04:29       -2.218504         0.000049
BFGS:   11 15:04:29       -2.218504         0.000005
BFGS:   12 15:04:29       -2.218504         0.000000
BFGS:   13 15:04:29       -2.218504         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.896009707110166e-33 eV/Angstrom
Maximum stress component: 1.8495458537997828e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Na', 'Na']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[3.849226937976954, 5.64445585642053e-18, 1.3055071044470123e-36], [-1.924613468988477, 3.3335283132194293, 2.6120797822890193e-36], [2.5683765045846534e-37, 1.210262846552686e-37, 6.294969259763263]])
forces =  [[-5.93067314e-33 -8.69666124e-51  6.46595722e-33]
 [ 8.89600971e-33 -3.42407573e-33 -6.46595722e-33]]
stress =  [-1.84954585e-10 -1.84954585e-10 -1.10833556e-10  2.93692396e-34
 -1.69563384e-34 -6.82376281e-27]
energy per atom =  -1.1092519285923217
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0