Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Mo__MO_534363225491_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1435002833604813
cohesive_energy=6.694239684074787
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.020995555405459037
Energy: 0.16750982455067978
Energy: 0.020995555405158028
Energy: 0.16751271542729063
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Energy: 1.5109855627414421
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Energy: 1.510985562741141
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Energy: 0.4409790487679502
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Energy: 0.4409790487682888
Energy: 1.27430216678214
Energy: 0.4409790487682888
Energy: 1.2742999289179087
Energy: 0.44097904876298355
Energy: 0.022003537788623895
Energy: 1.5109855627408026
Energy: 0.02200353778896253
Energy: 1.5109855627414421
Energy: 0.02200353778896253
Energy: 1.5109855627414421
Energy: 0.022003537788623895
Energy: 0.020995555405459037
Energy: 0.16751026868832597
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Energy: 0.16750288100584318
Energy: 0.020995555405459037
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Energy: 1.5109855627408026
Energy: 0.02200353778896253
Energy: 1.5109855627427966
Energy: 0.022003537788623895
Energy: 1.5109855627414421
Energy: 0.022003537788623895

minimum gb energy = 0.020995555404819396 eV
minimum distance =  2.72006152701615 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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minimum gb energy = -1.10668901447307 eV
minimum distance =  2.5971239863555 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

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Energy: 0.1976499734996735
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Energy: 0.028454543399758166
Energy: 0.5287037052600339
Energy: 0.027976810042855956
Energy: 0.5287037052576963
Energy: 0.02919767520995281
Energy: 0.5287037052595329
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Energy: 0.2393018445658539
Energy: -0.5505689499272043
Energy: 0.25673746464921837
Energy: -0.5505689499295418

minimum gb energy = -0.776857849717351 eV
minimum distance =  2.61074965173997 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

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Energy: 0.7169732621614695
Energy: 0.8510217613696955
Energy: 0.6588380649240091
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Energy: 0.8070498350583848
Energy: 0.8792012314645905
Energy: 0.8148720292068968
Energy: 0.8794387468946742
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Energy: 0.48973704240943744
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Energy: 0.5192303644778306
Energy: 0.14712326460013989
Energy: 0.5192303644799514
Energy: 0.14712326457469033
Energy: 0.519230364478891
Energy: 0.1471232645068248

minimum gb energy = -0.11843082508149956 eV
minimum distance =  2.49602360058209 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.15856037852963448
Energy: 0.46992705417802544
Energy: 0.15868962021765737
Energy: 0.4699270541730195
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Energy: -0.21801067280826714
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Energy: -0.21801067280951864
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Energy: -0.27187195379280865
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Energy: -0.48816387912441206
Energy: -0.21747975744139453
Energy: -0.48816387912503784
Energy: -0.21747975744076883

minimum gb energy = -0.6075212583224957 eV
minimum distance =  2.58955442319848 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

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Energy: 0.1856929268403359
Energy: 0.027934668348676556
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Energy: -0.1432709049572954
Energy: 0.1526590872158238
Energy: -0.14334957678729532
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Energy: -0.050691390565271124
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Energy: -0.257318329525707
Energy: -0.043156065372215065
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Energy: -0.21917891788332267
Energy: -0.12800489171580032
Energy: -0.21887138651254223
Energy: -0.12858347600778547

minimum gb energy = -0.25732455182184255 eV
minimum distance =  2.59148065169738 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

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Energy: -1.104649505623237
Energy: -1.7201438827789843
Energy: -1.1035064208142602
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Energy: -0.45100621093011345
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Energy: -0.5594643975204749
Energy: -0.4511029513975754
Energy: -0.559464043407978
Energy: -0.45102520121891154
Energy: -0.868823328010172
Energy: -0.8640415373555224
Energy: -0.8687944210902777
Energy: -0.8639974486715521
Energy: -0.8687677502903588
Energy: -0.8637309361353713
Energy: -0.8691624321016492
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Energy: -0.7868842732436334
Energy: -0.5386628412563755
Energy: -0.7868223391149795
Energy: -0.5389191002796685
Energy: -0.7868513178823576

minimum gb energy = -2.0829289442286045 eV
minimum distance =  2.60213608093811 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.36354294648889257
Energy: 0.37675518077743336
Energy: 0.36354294649080426
Energy: 0.37675518077743336
Energy: 0.36354294648984836
Energy: 0.3767551807764775
Energy: 0.36354294649176006
Energy: 1.2559939926561017
Energy: 1.515572849025358
Energy: 3.565235482976804
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Energy: 3.56520952072864
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Energy: 3.565210203801091
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Energy: 0.37675518077552167
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Energy: 0.36354294649176006
Energy: 0.3767551807764775
Energy: 0.36354294649080426
Energy: 3.2806808704882693
Energy: 1.515572849025358
Energy: 4.898306923854796
Energy: 1.5155728490244023
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Energy: 3.565119214422971
Energy: 0.36354294649080426
Energy: 0.37675518077743336
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Energy: 0.37675518077743336
Energy: 0.36354294649080426
Energy: 0.37675518077743336
Energy: 0.36354294649080426
Energy: 0.7343163497577312
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Energy: 3.565148056766058
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Energy: 3.565210643690174
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Energy: 0.37675518077456593
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Energy: 3.5652150317389775
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Energy: 0.3767551807783892
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Energy: 0.37675518077743336
Energy: 0.36354294649080426
Energy: 0.3767551807783892
Energy: 0.36354294648984836
Energy: 1.2557990636354432
Energy: 1.5155728490244023
Energy: 3.5651317739062742
Energy: 1.5155728490244023
Energy: 3.565217949751091
Energy: 1.5155728490244023
Energy: 3.5652093681952004
Energy: 0.36354294649176006
Energy: 0.37675518077552167
Energy: 0.36354294649176006
Energy: 0.3767551807764775
Energy: 0.36354294649176006
Energy: 0.37675518077552167
Energy: 0.36354294649080426
Energy: 3.565152066957488
Energy: 1.5155728490244023
Energy: 3.5652083230686866
Energy: 1.5155728490234464
Energy: 3.5652179622908067
Energy: 1.5155728490244023
Energy: 3.5652518496247816
Energy: 0.36354294648889257
Energy: 0.37675518077743336
Energy: 0.36354294649080426
Energy: 0.3767551807783892
Energy: 0.36354294648984836
Energy: 0.37675518077743336
Energy: 0.36354294649080426
Energy: 3.5651848857422346
Energy: 1.515572849025358
Energy: 3.565221138412625
Energy: 1.515572849025358
Energy: 3.5652208481668977
Energy: 1.515572849025358
Energy: 3.5652067580703615
Energy: 0.36354294649176006
Energy: 0.3767551807764775
Energy: 0.36354294649080426
Energy: 0.37675518077552167
Energy: 0.36354294649176006
Energy: 0.37675518077552167
Energy: 0.36354294649176006
Energy: 3.5652095399733765
Energy: 1.5155728490234464
Energy: 3.565342130668544
Energy: 1.515572849025358
Energy: 3.565252860303162
Energy: 1.5155728490234464
Energy: 3.565237793764272
Energy: 0.36354294649080426
Energy: 0.3767551807783892
Energy: 0.36354294648984836
Energy: 0.3767551807783892
Energy: 0.36354294649080426
Energy: 0.3767551807783892
Energy: 0.36354294649080426
Energy: 3.565372055232713
Energy: 1.5155728490244023
Energy: 3.565132794170201
Energy: 1.5155728490234464
Energy: 3.5653973895717104
Energy: 1.5155728490244023
Energy: 3.5651361283123615
Energy: 0.36354294649176006
Energy: 0.37675518077552167
Energy: 0.3635429464936717
Energy: 0.37675518077456593
Energy: 0.36354294649080426
Energy: 0.37675518077456593
Energy: 0.3635429464936717
Energy: 3.5651965194798714
Energy: 1.5155728490244023
Energy: 3.565214035937274
Energy: 1.5155728490234464
Energy: 3.565196254515168
Energy: 1.5155728490234464
Energy: 3.5652125405383597

minimum gb energy = 0.36354294648889257 eV
minimum distance =  2.55499543453115 Angstroms
sigma value = 23