element(s):
['Be']
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:
['2.2635', '1.5770267']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Be']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.2635, 0, 0], [-1.13175, 1.9602485014661, 0], [0, 0, 3.5696]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:39:33       -5.318653         4.302318
BFGS:    1 15:39:33       -5.990698         4.714147
BFGS:    2 15:39:33       -6.717319         5.075300
BFGS:    3 15:39:33       -7.472889         5.257581
BFGS:    4 15:39:33       -8.215170         5.138371
BFGS:    5 15:39:33       -8.878180         4.462845
BFGS:    6 15:39:33       -9.362305         2.882798
BFGS:    7 15:39:33       -9.539345         0.537295
BFGS:    8 15:39:33       -9.541512         0.110823
BFGS:    9 15:39:33       -9.541857         0.011491
BFGS:   10 15:39:33       -9.541860         0.000129
BFGS:   11 15:39:33       -9.541860         0.000002
BFGS:   12 15:39:33       -9.541860         0.000000
BFGS:   13 15:39:33       -9.541860         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.8413257421545786e-31 eV/Angstrom
Maximum stress component: 3.647990615069839e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Be', 'Be']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[1.8673261458063533, 2.7593682117722352e-17, 9.047170759759116e-36], [-0.9336630729031766, 1.6171518794191864, 1.4605545044109024e-35], [4.3070206891343293e-35, 1.0861083344246445e-34, 3.049391655297061]])
forces =  [[-1.84132574e-31  1.06308991e-31  1.00231078e-31]
 [-1.84132574e-31  1.06308991e-31 -1.00231078e-31]]
stress =  [-1.38933284e-10 -1.38933284e-10 -3.64799062e-10  1.66634600e-33
  2.88619593e-33 -2.92602106e-27]
energy per atom =  -4.770930200307302
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0