Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_004
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=3.140962809324265
cohesive_energy=6.754333578238715
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.3874835111551e-19, 3.54427106266944e-19, 4.486591249956539e-19, 5.29122037731768e-19, 5.9935825701305995e-19, 6.6148586034967785e-19, 7.168715044104239e-19, 7.6644124728975e-19, 8.1092247717949195e-19, 8.508679450183799e-19, 8.86681399318182e-19, 9.1871211458511e-19, 9.472484826132838e-19, 9.72535636427706e-19, 9.94781858990796e-19, 1.014173002792098e-18, 1.030862876788476e-18, 1.04498766599382e-18, 1.056669135832314e-18, 1.0660162343150699e-18, 1.073150726866272e-18, 1.07815272231762e-18, 1.081107136030716e-18, 1.08207805507092e-18, 1.0810222206691138e-18, 1.0775823474359158e-18, 1.071288997617564e-18, 1.061573398508988e-18, 1.047754625040738e-18, 1.02901396495284e-18, 1.004322820846266e-18, 9.72426688416594e-19, 9.3177786503538e-19, 8.804745670380659e-19, 8.161055185904819e-19, 7.355977449086159e-19, 6.35056354595214e-19, 5.09471341315758e-19, 3.5232344834650196e-19, 1.550224454465916e-19, -9.382698847563479e-20, -4.0978391114827794e-19, -8.142069392791919e-19, -1.3370292184860717e-18, -2.0210977584919797e-18, -2.92962804056802e-18, -4.157920735257779e-18, -5.855026334822279e-18, -8.26367459931252e-18, -1.179924584285934e-17, -1.7216990108963997e-17, -2.6003807422810197e-17, -4.1407454017412994e-17, -7.165206277275779e-17]
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: 0.021129548531652928
Energy: -1.1171089466958861
Energy: -0.45826841321985584
Energy: 0.027251894349440843
Energy: 0.027470833213168754
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Energy: 0.32147598811815903
Energy: 0.06999429157257386
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Energy: -0.46101006523123206
Energy: 0.33086072282995355
Energy: 0.07647374556803116
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Energy: 0.07115038353134627
Energy: 0.32224751164070387
Energy: 0.06847882734617837
Energy: 0.07223020130261011
Energy: 0.32235555049399356
Energy: 0.07034143359185485
Energy: 0.07639273306772022
Energy: 0.07230460964716426
Energy: 0.32059555317289445
Energy: -0.46173251229083806
Energy: 0.07339644202375055
Energy: 0.3222655064003721
Energy: -0.4655059491357985
Energy: 0.07432375687430423
Energy: 0.32053498048665463
Energy: 0.5186471873344713
Energy: 0.06870350661014099
Energy: 0.0720766375720392
Energy: 0.33201176234899926
Energy: 0.07594338927955163
Energy: 0.02217996528834917
Energy: -0.4591550547583473
Energy: 0.07158107975238696
Energy: 0.026734843396728814
Energy: 0.02725802357450041
Energy: 0.32413310167494724
Energy: 0.07336054960664222

minimum gb energy = -1.1221873249439474 eV
minimum distance =  2.67469636656616 Angstroms
sigma value = 5


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

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Energy: -0.6505403313179985

minimum gb energy = -2.694607277151265 eV
minimum distance =  2.56070921429615 Angstroms
sigma value = 401


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

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minimum gb energy = -1.1910057542701986 eV
minimum distance =  2.53905874740516 Angstroms
sigma value = 311


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

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minimum gb energy = -1.512672563306271 eV
minimum distance =  2.45647757074493 Angstroms
sigma value = 39


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

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Energy: 0.04670515361463142
Energy: 0.1666793013676498
Energy: 0.647040194310482
Energy: -0.02294459606165131
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Energy: -0.14872505402139247
Energy: -0.006003467205281756
Energy: 0.11472005905457029
Energy: -0.3199809146726782
Energy: -0.37108128599126544

minimum gb energy = -1.160487832106091 eV
minimum distance =  2.46901282956346 Angstroms
sigma value = 21


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

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Energy: 0.03672109121509949
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Energy: -0.25878104336143787
Energy: 0.14191140931663648
Energy: -0.30419585245584646
Energy: 0.000840300763678549

minimum gb energy = -1.4100310173261887 eV
minimum distance =  2.54501909996654 Angstroms
sigma value = 113


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

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Energy: -1.2917463724512248

minimum gb energy = -2.8983152831900107 eV
minimum distance =  2.56576114022536 Angstroms
sigma value = 365


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

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Energy: -1.6332516393257068
Energy: -1.6314803166772365
Energy: -1.7921469099773701
Energy: -1.7930761105144248
Energy: -1.7914632033255278
Energy: -1.783979558370635
Energy: -1.6858656186730732
Energy: -1.7933396418304453
Energy: -1.7838051819011027
Energy: -1.7843253255906104
Energy: -1.6938894864911602
Energy: -1.79577659362286
Energy: -1.6952697083399635
Energy: -0.6490355570421573
Energy: -0.6511618125336968
Energy: -0.7809158612504521
Energy: -0.6736747439241606
Energy: -0.7644440546564583
Energy: -0.6888476098534709
Energy: -0.6893976114052893
Energy: -0.6193226163777131
Energy: -0.6244558506926772
Energy: -0.6253065736770929
Energy: -1.7929507143141863
Energy: -1.6912718706319034
Energy: -1.783572359790773
Energy: -0.4752474615685373
Energy: -1.6940234368527842
Energy: -1.7950909879123453
Energy: -1.782921560885772
Energy: -1.7917137440461592
Energy: -1.7899831149588579
Energy: -1.6943290086608098
Energy: -1.6862050862601354
Energy: -0.5453851165593953
Energy: -0.4991441462675987
Energy: -0.5993084838388466
Energy: -0.6597246469011304
Energy: -0.5999849785126448
Energy: -0.7662525672416054
Energy: -0.6908431886555397
Energy: -0.5576312165069737
Energy: -0.5509717187521835
Energy: -0.5718995722432321
Energy: -0.6635005713872085
Energy: -0.6640553493354351
Energy: -0.49618320685812867
Energy: -0.49274180898062186
Energy: -1.7890716840423364
Energy: -1.850354330027457
Energy: -1.6370138851019784
Energy: -1.6966869760010408
Energy: -1.844339637138291
Energy: -1.8504478306713343
Energy: -1.842245712222291
Energy: -0.5649495221936377
Energy: -0.4933493616331597
Energy: -0.49592602587615076
Energy: -0.6626226367841658
Energy: -0.6650982560898242
Energy: -0.6628341819814603
Energy: -0.5702200119170122

minimum gb energy = -1.8513398169910147 eV
minimum distance =  2.61964313307376 Angstroms
sigma value = 23