Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973 cohesive_energy=4.4503499779377105 mass=58.6934 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: 0.02222573485599423 Energy: 0.6050655275028588 Energy: 0.3236852721988818 Energy: 0.6048904010667858 Energy: 0.02222573485599423 Energy: 0.6050655275028588 Energy: 0.3236852721988818 Energy: 0.5713973793733905 Energy: 0.022398991903502672 Energy: 0.3653758851068524 Energy: 0.022446483826633706 Energy: 0.5713973793733905 Energy: 0.022398991903502672 Energy: 0.3653758851068524 Energy: 0.02222573485599423 Energy: 0.6050655275028588 Energy: 0.3236852721988818 Energy: 0.6048904010667858 Energy: 0.02222573485599423 Energy: 0.6050655275028588 Energy: 0.3236852721988818 Energy: 0.5713973793707497 Energy: 0.022398991903502672 Energy: 0.3653758851068524 Energy: 0.022446483826633706 Energy: 0.5713973793733905 Energy: 0.022398991903502672 Energy: 0.3653758851068524 Energy: 0.02222573485599423 Energy: 0.6050655275028588 Energy: 0.3236852721988818 Energy: 0.6048904010667858 Energy: 0.02222573485599423 Energy: 0.6050655275028588 Energy: 0.3236852721988818 Energy: 0.5713973793733905 Energy: 0.022398991903502672 Energy: 0.3653758851068524 Energy: 0.022446483826633706 Energy: 0.5713973793707497 Energy: 0.022398991903502672 Energy: 0.3653758851068524 minimum gb energy = 0.02222573485599423 eV minimum distance = 2.47052636100797 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.4535973985259711 Energy: 1.439490879811326 Energy: 1.4921086270912205 Energy: 1.4033585030876123 Energy: 1.4535973985259711 Energy: 1.439490879811326 Energy: 1.4921086270847685 Energy: 1.3589234998742057 Energy: 1.3490255109744302 Energy: 1.462995842495689 Energy: 1.3838530610932822 Energy: 1.3589234998774316 Energy: 1.3490255109776566 Energy: 1.462995842495689 Energy: 1.3393482322170933 Energy: 1.3411782193130155 Energy: 1.4994523792572942 Energy: 1.3706982636115053 Energy: 1.3393482322170933 Energy: 1.3411782193130155 Energy: 1.499452379254068 Energy: 1.4386810571886322 Energy: 1.4076079435024573 Energy: 1.5230965093612716 Energy: 1.3652383590570363 Energy: 1.4386810571886322 Energy: 1.4076079435089097 Energy: 1.5230965093515936 Energy: 1.352319353624013 Energy: 1.325214844040971 Energy: 1.4487654972631885 Energy: 1.3370640997335488 Energy: 1.3523193536272393 Energy: 1.3252148440441973 Energy: 1.4487654972567363 Energy: 1.3835570242095232 Energy: 1.4111867456274139 Energy: 1.4034556821717843 Energy: 1.352642268880693 Energy: 1.3835570242062971 Energy: 1.4111867456209615 Energy: 1.4034556821717843 Energy: 1.3302644913792765 Energy: 1.4202791412050046 Energy: 1.5400528740433124 Energy: 1.402420898953173 Energy: 1.3302644913825024 Energy: 1.4202791412082307 Energy: 1.5090907678078864 Energy: 1.339388343011289 Energy: 1.3375196868586277 Energy: 1.531727147667969 Energy: 1.3917603510786212 Energy: 1.3393883430177413 Energy: 1.3375196868521753 Energy: 1.531727147667969 Energy: 1.3135117018231097 Energy: 1.3674054715971617 Energy: 1.4360367034611 Energy: 1.366297554613162 Energy: 1.3135117018295617 Energy: 1.3674054715971617 Energy: 1.4360367034514216 Energy: 1.355053546797245 Energy: 1.3680191512860762 Energy: 1.5221275624793205 Energy: 1.3682866878788555 Energy: 1.355053546797245 Energy: 1.3680191512893025 Energy: 1.5221275624728683 Energy: 1.3593256612617908 Energy: 1.3497013882084339 Energy: 1.4096881064985092 Energy: 1.3993001007346537 Energy: 1.3593256612585645 Energy: 1.3497013882084339 Energy: 1.409688106501735 Energy: 1.3945639961546779 Energy: 1.457308923407768 Energy: 1.3962031530643173 Energy: 1.376805291364976 Energy: 1.394563996157904 Energy: 1.457308923407768 Energy: 1.3962031530610914 Energy: 1.4935391995901164 Energy: 1.4137654566198128 Energy: 1.5044210378544538 Energy: 1.370374674156491 Energy: 1.4935391995804381 Energy: 1.4137654566101345 Energy: 1.50442103785768 Energy: 1.3374712478376625 Energy: 1.3964352048804232 Energy: 1.4782322257910998 Energy: 1.3548620456977798 Energy: 1.3374712478408883 Energy: 1.3964352048868758 Energy: 1.4782322257943254 Energy: 1.355708224992611 Energy: 1.3452172116798862 Energy: 1.5129826563496558 Energy: 1.3470681569966425 Energy: 1.355708224992611 Energy: 1.3452172116798862 Energy: 1.5129826563496558 Energy: 1.40325926540609 Energy: 1.4035331216773614 Energy: 1.4021170816023185 Energy: 1.4555989660881268 Energy: 1.4032592654093163 Energy: 1.4035331216709093 Energy: 1.4021170815990929 Energy: 1.370283971893002 Energy: 1.353172563347801 Energy: 1.406876132978831 Energy: 1.3850923324478672 Energy: 1.3702839718865498 Energy: 1.353172563347801 Energy: 1.4068761329820574 Energy: 1.3312950125502692 Energy: 1.3256841390899095 Energy: 1.5215642904441198 Energy: 1.3702007805445344 Energy: 1.3312950125534955 Energy: 1.3256841390899095 Energy: 1.521564290450572 Energy: 1.3710283766009141 Energy: 1.3518288540528551 Energy: 1.486351290852023 Energy: 1.3679533718966794 Energy: 1.371028376597688 Energy: 1.351828854049629 Energy: 1.4863512908455707 Energy: 1.355792062894328 Energy: 1.327289916089089 Energy: 1.4579802249481835 Energy: 1.3988525898772857 Energy: 1.355792062894328 Energy: 1.327289916089089 Energy: 1.4579802249514098 Energy: 1.3301797181742152 Energy: 1.3633549697691723 Energy: 1.4676248332210708 Energy: 1.3654474388380626 Energy: 1.3301797181678217 Energy: 1.3633549697627203 Energy: 1.4676248332178445 Energy: 1.332808562537054 Energy: 1.3989896903620562 Energy: 1.5148833638824568 Energy: 1.339450237405215 Energy: 1.332808562537054 Energy: 1.3989896903620562 Energy: 1.5148833638856827 Energy: 1.3494440378558847 Energy: 1.3301440954251 Energy: 1.5588967300796304 Energy: 1.3966780370741048 Energy: 1.349444037852659 Energy: 1.3301440954218742 Energy: 1.5588967300796304 Energy: 1.3732698379072377 Energy: 1.350672953277757 Energy: 1.4351347841930455 Energy: 1.4074048923701006 Energy: 1.3732698379040116 Energy: 1.3506729532745307 Energy: 1.4351347841962718 Energy: 1.3530726465173115 Energy: 1.3670344659158349 Energy: 1.5513452814253508 Energy: 1.3597828369991787 Energy: 1.3530726465205378 Energy: 1.3670344659222868 Energy: 1.4769610309328132 Energy: 1.3679240048996573 Energy: 1.3472540953443841 Energy: 1.4160299134035919 Energy: 1.4354297197361903 Energy: 1.3679240048996573 Energy: 1.3472540953443841 Energy: 1.4160299134035919 Energy: 1.4416368048723458 Energy: 1.3583601075651588 Energy: 1.5216420365206267 Energy: 1.3624787206362174 Energy: 1.4416368048723458 Energy: 1.3583601075619327 Energy: 1.414930028733596 Energy: 1.4029011266462075 Energy: 1.4121962448180494 Energy: 1.446868292728708 Energy: 1.4121085041101744 Energy: 1.4029011266462075 Energy: 1.4121962448180494 Energy: 1.44686829271903 Energy: 1.3828737372322255 Energy: 1.3763603674094045 Energy: 1.4870766742155592 Energy: 1.3587558285989045 Energy: 1.3828737372289994 Energy: 1.3763603674094045 Energy: 1.4870766742187853 Energy: 1.3308133952479164 Energy: 1.3869744320536332 Energy: 1.4686417360378154 Energy: 1.3754240201260748 Energy: 1.3308133952479164 Energy: 1.386974432047181 Energy: 1.4686417360410413 Energy: 1.3523874791426265 Energy: 1.4062878338575484 Energy: 1.534616289369267 Energy: 1.4118034912016553 Energy: 1.3523874791426265 Energy: 1.406287833854322 Energy: 1.534616289369267 Energy: 1.3752555819033752 Energy: 1.3906648080818294 Energy: 1.4044386263593578 Energy: 1.3518467834090373 Energy: 1.3752555819066012 Energy: 1.3906648080818294 Energy: 1.4044386263625837 Energy: 1.3576184503692164 Energy: 1.4027478697644502 Energy: 1.520192272736405 Energy: 1.332692694253257 Energy: 1.3576184503659903 Energy: 1.4027478697579978 Energy: 1.520192272736405 Energy: 1.364272872534709 Energy: 1.3377069272380964 Energy: 1.5077842352771251 Energy: 1.3922583503156771 Energy: 1.364272872534709 Energy: 1.3377069272413225 Energy: 1.5077842352738988 Energy: 1.330820281639743 Energy: 1.351699681116385 Energy: 1.4473206767248203 Energy: 1.3505733294158497 Energy: 1.330820281636517 Energy: 1.351699681122837 Energy: 1.4473206767312723 Energy: 1.3556918508420412 Energy: 1.4284681172085667 Energy: 1.5341610123396452 Energy: 1.3574281923315177 Energy: 1.3556918508420412 Energy: 1.4284681172085667 Energy: 1.5341610123428715 Energy: 1.3124039731595947 Energy: 1.3677878936052303 Energy: 1.4335266870280057 Energy: 1.3445173577420557 Energy: 1.3124039731563686 Energy: 1.3677878936149088 Energy: 1.4335266870280057 Energy: 1.3339675734002403 Energy: 1.3733845779866931 Energy: 1.4975097922510026 Energy: 1.3862862453019777 Energy: 1.333967573397014 Energy: 1.3733845779866931 Energy: 1.4975097922510026 Energy: 1.3873228065788756 Energy: 1.392865712273834 Energy: 1.4654275776696408 Energy: 1.3711033543179034 Energy: 1.3873228065724235 Energy: 1.3928657122770598 Energy: 1.465427577666415 Energy: 1.4071124149499485 Energy: 1.486782730105591 Energy: 1.4771737534448126 Energy: 1.4015644445653364 Energy: 1.4071124149467225 Energy: 1.486782730105591 Energy: 1.477173753441587 Energy: 1.4060824601377144 Energy: 1.3451276201044464 Energy: 1.4920232054874132 Energy: 1.393724213988839 Energy: 1.4060824601377144 Energy: 1.3451276200979942 Energy: 1.4920232054906395 Energy: 1.406004043445411 Energy: 1.3548303217738926 Energy: 1.4810973095894768 Energy: 1.349117242384382 Energy: 1.4060040434421848 Energy: 1.3548303217706665 Energy: 1.4810973095830244 Energy: 1.4929622966672682 Energy: 1.3712325024398555 Energy: 1.393970392538576 Energy: 1.410033282916274 Energy: 1.492962296660816 Energy: 1.3712325024430814 Energy: 1.393970392545028 Energy: 1.390889649172941 Energy: 1.3926873513754807 Energy: 1.444634250330869 Energy: 1.4245495765742957 Energy: 1.390889649176167 Energy: 1.3926873513722544 Energy: 1.444634250330869 Energy: 1.3126511587303644 Energy: 1.3505424041005707 Energy: 1.4735256029267325 Energy: 1.3777656012668693 Energy: 1.3126511587368164 Energy: 1.3505424041005707 Energy: 1.4735256029267325 Energy: 1.355484996563979 Energy: 1.4033000633955786 Energy: 1.548811532081915 Energy: 1.4126385179397942 Energy: 1.355484996563979 Energy: 1.4033000633891262 Energy: 1.548811532081915 Energy: 1.3130889611307528 Energy: 1.3590548495544743 Energy: 1.4229637843434462 Energy: 1.3430172987058493 Energy: 1.313088961133979 Energy: 1.3590548495577002 Energy: 1.422963784336994 minimum gb energy = 1.3124039731563686 eV minimum distance = 2.20941768953596 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.415185203901108 Energy: 1.3859407030512714 Energy: 1.5124941472981173 Energy: 1.3841719964130308 Energy: 1.41518520390477 Energy: 1.3859407030512714 Energy: 1.5124941472981173 Energy: 1.331334597438645 Energy: 1.3479928007030075 Energy: 1.4652530572186937 Energy: 1.3726599477581605 Energy: 1.331334597438645 Energy: 1.3479928006993456 Energy: 1.4652530572223559 Energy: 1.3311396412860426 Energy: 1.3657996805250026 Energy: 1.5218448101907533 Energy: 1.3548341709044949 Energy: 1.3311396412823808 Energy: 1.3657996805250026 Energy: 1.5218448101907533 Energy: 1.3597794471829696 Energy: 1.3889373583292157 Energy: 1.4980045383886247 Energy: 1.3476329283858637 Energy: 1.3597794471829696 Energy: 1.3889373583292157 Energy: 1.5223240246697156 Energy: 1.3573267057446334 Energy: 1.375465001308728 Energy: 1.375301649930433 Energy: 1.3470240648510814 Energy: 1.3573267057409715 Energy: 1.3754650013123233 Energy: 1.3753016499340949 Energy: 1.3318120395170563 Energy: 1.3564416609042294 Energy: 1.4036620941685547 Energy: 1.3540170673161347 Energy: 1.331812039513394 Energy: 1.3564416609042294 Energy: 1.4036620941685547 Energy: 1.3540421106004912 Energy: 1.3681455342611661 Energy: 1.5983159229003445 Energy: 1.360529691918958 Energy: 1.3540421105968294 Energy: 1.3681455342575042 Energy: 1.532434270081857 Energy: 1.3542574005323844 Energy: 1.3403836722997535 Energy: 1.6031790845554434 Energy: 1.3673050001643208 Energy: 1.3542574005323844 Energy: 1.3403836723034153 Energy: 1.5937808528150927 Energy: 1.3295758837261016 Energy: 1.3558278532176156 Energy: 1.4601259908974125 Energy: 1.3556872350358917 Energy: 1.3295758837224396 Energy: 1.3558278532139538 Energy: 1.4508160952663376 Energy: 1.3585478972271368 Energy: 1.4196987890893782 Energy: 1.4823022802615216 Energy: 1.3538936144062361 Energy: 1.3585478972271368 Energy: 1.4196987890857165 Energy: 1.4290006339529147 Energy: 1.359950728151792 Energy: 1.4079515014446224 Energy: 1.4327514626709699 Energy: 1.3539030902271472 Energy: 1.3599507281481302 Energy: 1.4079515014446224 Energy: 1.4327514626709699 Energy: 1.3309140737774607 Energy: 1.3611746853413182 Energy: 1.4451070778514963 Energy: 1.3644885748444715 Energy: 1.3309140737811223 Energy: 1.3611746853413182 Energy: 1.4330714686637172 Energy: 1.332924746368006 Energy: 1.356685114795316 Energy: 1.4959613955003226 Energy: 1.353842058822463 Energy: 1.332924746371668 Energy: 1.356685114795316 Energy: 1.5012463310989046 Energy: 1.3318444818963615 Energy: 1.3859407030476094 Energy: 1.5124941472981173 Energy: 1.3841719964130308 Energy: 1.3318444818963615 Energy: 1.3859407030512714 Energy: 1.5124941472981173 Energy: 1.331334597434983 Energy: 1.3479928007030075 Energy: 1.4652530572186937 Energy: 1.3729514031184669 Energy: 1.331334597438645 Energy: 1.3479928006956836 Energy: 1.4652530572260178 Energy: 1.3311396412860426 Energy: 1.3657996805286643 Energy: 1.5218448101907533 Energy: 1.3548341709081566 Energy: 1.3311396412860426 Energy: 1.3657996805250026 Energy: 1.5218448101907533 Energy: 1.3597794471829696 Energy: 1.3865223648013598 Energy: 1.5318984576902746 Energy: 1.3476329283895256 Energy: 1.3597794471793077 Energy: 1.3865223647976979 Energy: 1.5223240246697156 Energy: 1.3573267057446334 Energy: 1.3719472273322364 Energy: 1.3753016499340949 Energy: 1.3470240648474192 Energy: 1.3573267057446334 Energy: 1.3719472273322364 Energy: 1.3753016499340949 Energy: 1.331465619814109 Energy: 1.3564416609042294 Energy: 1.4672804838901135 Energy: 1.3540170673124727 Energy: 1.331465619814109 Energy: 1.3564416609042294 Energy: 1.4036620941685547 Energy: 1.3539493243503624 Energy: 1.3681455342611661 Energy: 1.630152981820597 Energy: 1.360529691918958 Energy: 1.3539493243503624 Energy: 1.368145534253842 Energy: 1.630152981820597 Energy: 1.3542988996124778 Energy: 1.3403836722997535 Energy: 1.623516853774931 Energy: 1.367791871074394 Energy: 1.3542988996124778 Energy: 1.3403836723034153 Energy: 1.5937808528150927 Energy: 1.3295758837261016 Energy: 1.3558278532139538 Energy: 1.4500549244067713 Energy: 1.3556872350395537 Energy: 1.3295758837261016 Energy: 1.3558278532139538 Energy: 1.4500549244067713 Energy: 1.3585478972271368 Energy: 1.4196987890893782 Energy: 1.4290006339602386 Energy: 1.3538936144062361 Energy: 1.3585478972271368 Energy: 1.4196987890857165 Energy: 1.4290006339602386 Energy: 1.359950728151792 Energy: 1.4044426791244298 Energy: 1.4327514626709699 Energy: 1.3539030902308096 Energy: 1.3599507281481302 Energy: 1.4044426791244298 Energy: 1.4327514626709699 Energy: 1.3308883508788931 Energy: 1.361174685337656 Energy: 1.433071468667379 Energy: 1.3644885748444715 Energy: 1.330888350875231 Energy: 1.3611746853413182 Energy: 1.4330714686637172 Energy: 1.3252105139092896 Energy: 1.356685114795316 Energy: 1.5012463310952426 Energy: 1.353842058822463 Energy: 1.3252105139092896 Energy: 1.3566851147916543 Energy: 1.5012463310952426 Energy: 1.415185203901108 Energy: 1.3859407030476094 Energy: 1.5124941472981173 Energy: 1.3841719964130308 Energy: 1.41518520390477 Energy: 1.3859407030512714 Energy: 1.5124941472944553 Energy: 1.331334597438645 Energy: 1.3479928007030075 Energy: 1.4652530572223559 Energy: 1.3726599477618222 Energy: 1.331334597438645 Energy: 1.3479928006993456 Energy: 1.4652530572223559 Energy: 1.3311396412860426 Energy: 1.3657996805250026 Energy: 1.5218448101907533 Energy: 1.3548341709081566 Energy: 1.3311396412823808 Energy: 1.3657996805213406 Energy: 1.5218448101870914 Energy: 1.3597794471829696 Energy: 1.3889373583292157 Energy: 1.5223240246697156 Energy: 1.3476329283895256 Energy: 1.3597794471793077 Energy: 1.3889373583292157 Energy: 1.5223240246697156 Energy: 1.3573267057446334 Energy: 1.375465001308728 Energy: 1.3753016499340949 Energy: 1.3470240648474192 Energy: 1.3573267057446334 Energy: 1.375465001308728 Energy: 1.3753016499340949 Energy: 1.3318120395170563 Energy: 1.3564416609042294 Energy: 1.4672804838864515 Energy: 1.3540170673124727 Energy: 1.3318120395097324 Energy: 1.3564416609042294 Energy: 1.4036620941685547 Energy: 1.3540421106004912 Energy: 1.3681455342611661 Energy: 1.5783784262790441 Energy: 1.360529691918958 Energy: 1.3540421105968294 Energy: 1.368145534253842 Energy: 1.5783784262643963 Energy: 1.3542574005323844 Energy: 1.3403836722997535 Energy: 1.623516853774931 Energy: 1.3673050001643208 Energy: 1.3542574005323844 Energy: 1.3403836723034153 Energy: 1.6031790845554434 Energy: 1.3295758837261016 Energy: 1.3558278532176156 Energy: 1.4508160952590137 Energy: 1.3556872350395537 Energy: 1.3295758837261016 Energy: 1.3558278532176156 Energy: 1.4508160952663376 Energy: 1.3585478972271368 Energy: 1.4196987890893782 Energy: 1.4290006339565766 Energy: 1.3538936144062361 Energy: 1.3585478972271368 Energy: 1.4196987890857165 Energy: 1.4290006339565766 Energy: 1.359950728151792 Energy: 1.4079515014446224 Energy: 1.4327514626746318 Energy: 1.3539030902271472 Energy: 1.3599507281481302 Energy: 1.4079515014446224 Energy: 1.4327514626709699 Energy: 1.3309140737774607 Energy: 1.361174685337656 Energy: 1.433071468667379 Energy: 1.3644885748481335 Energy: 1.3309140737811223 Energy: 1.3611746853413182 Energy: 1.433071468660055 Energy: 1.332924746371668 Energy: 1.356685114798978 Energy: 1.5012463310952426 Energy: 1.353842058822463 Energy: 1.332924746371668 Energy: 1.3566851147916543 Energy: 1.5012463310952426 Energy: 1.3318444818963615 Energy: 1.3859407030476094 Energy: 1.5124941472981173 Energy: 1.3841719964093686 Energy: 1.3318444818963615 Energy: 1.3859407030512714 Energy: 1.5124941472981173 Energy: 1.331334597438645 Energy: 1.3479928007030075 Energy: 1.4652530572186937 Energy: 1.372951403114805 Energy: 1.331334597438645 Energy: 1.3479928006993456 Energy: 1.4652530572260178 minimum gb energy = 1.3252105139092896 eV minimum distance = 2.2584733247621 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.4422094878331948 Energy: 1.343298163215667 Energy: 1.5274862726224578 Energy: 1.4097270985843133 Energy: 1.4422094878344631 Energy: 1.3432981632165126 Energy: 1.5290183012938434 Energy: 1.4542895177849235 Energy: 1.4179869787343389 Energy: 1.4290998556096006 Energy: 1.3980925970159719 Energy: 1.4542895177840778 Energy: 1.4179869787356072 Energy: 1.4290998556096006 Energy: 1.371971186346071 Energy: 1.394821110425206 Energy: 1.4293357932887403 Energy: 1.4014452451257235 Energy: 1.371971186346494 Energy: 1.3948211104235144 Energy: 1.4758397634263805 Energy: 1.401905969869318 Energy: 1.3291823183138565 Energy: 1.5178659248643962 Energy: 1.3190163386258646 Energy: 1.401905969869318 Energy: 1.3291823183134337 Energy: 1.5178659248643962 Energy: 1.4495718508059514 Energy: 1.349271899441964 Energy: 1.5811907302426105 Energy: 1.40918751299369 Energy: 1.4495718508059514 Energy: 1.3492718994415414 Energy: 1.563467862644961 Energy: 1.377973023073954 Energy: 1.34977871749997 Energy: 1.4140677469021201 Energy: 1.3377986527188515 Energy: 1.3779730230726854 Energy: 1.3497787174987015 Energy: 1.4140677469021201 Energy: 1.379872600228767 Energy: 1.4490470908298636 Energy: 1.4365025381670642 Energy: 1.3973726829712823 Energy: 1.379872600228767 Energy: 1.4490470908311321 Energy: 1.4365025381670642 Energy: 1.411058952899751 Energy: 1.351826766792524 Energy: 1.6061722314193616 Energy: 1.4035124334619118 Energy: 1.411058952899751 Energy: 1.351826766794215 Energy: 1.6061722314193616 Energy: 1.403588932922365 Energy: 1.3385321199020959 Energy: 1.4844035206183301 Energy: 1.3608619008011074 Energy: 1.4035889329210964 Energy: 1.3385321199033646 Energy: 1.4844035206157933 Energy: 1.3747013197593954 Energy: 1.4188476688068676 Energy: 1.453068673328528 Energy: 1.407119886488509 Energy: 1.3747013197589724 Energy: 1.418847668806445 Energy: 1.453068673328528 Energy: 1.4672130980982157 Energy: 1.3896226378499357 Energy: 1.4499319363550807 Energy: 1.3162649332241874 Energy: 1.4672130980977929 Energy: 1.3896226378495127 Energy: 1.4499319363550807 Energy: 1.4016752477014705 Energy: 1.4431038513605026 Energy: 1.4187386002688527 Energy: 1.453218410836844 Energy: 1.4016752477010475 Energy: 1.443103851358811 Energy: 1.4187386002574358 Energy: 1.397527627470031 Energy: 1.3904173351554636 Energy: 1.4531085363077518 Energy: 1.3511914235579694 Energy: 1.3975276274708768 Energy: 1.3904173351554636 Energy: 1.4531085363077518 Energy: 1.3808392450110973 Energy: 1.3794157479626152 Energy: 1.5295172575844198 Energy: 1.4087169867847087 Energy: 1.3808392450098288 Energy: 1.3794157479621925 Energy: 1.529517257586111 Energy: 1.408043358521889 Energy: 1.3307750610461169 Energy: 1.4518370195733579 Energy: 1.3184029606452983 Energy: 1.408043358521889 Energy: 1.330775061045271 Energy: 1.4518370195716666 Energy: 1.455087099490465 Energy: 1.370313473241163 Energy: 1.4637222247414248 Energy: 1.3981000934571386 Energy: 1.4550870994900422 Energy: 1.3703134732420088 Energy: 1.4637222247422705 Energy: 1.4391489146047916 Energy: 1.3616079184167411 Energy: 1.4137233766426096 Energy: 1.4231490726020137 Energy: 1.4391489146035232 Energy: 1.3616079184158953 Energy: 1.4137233766421868 Energy: 1.3833715363310808 Energy: 1.4494597947864152 Energy: 1.4420685802479476 Energy: 1.4171871359423331 Energy: 1.3833715363319263 Energy: 1.4494597947851466 Energy: 1.4420685802487931 Energy: 1.3801731424333845 Energy: 1.3518475994022028 Energy: 1.5895656986780227 Energy: 1.401733504138887 Energy: 1.3801731424338075 Energy: 1.3518475994022028 Energy: 1.5461431397776542 Energy: 1.3734836974318165 Energy: 1.3386531683953582 Energy: 1.4992696167794193 Energy: 1.3426495131954261 Energy: 1.373483697433508 Energy: 1.3386531683940897 Energy: 1.4992696167773047 Energy: 1.3569730528887902 Energy: 1.3991974031145655 Energy: 1.4669215726202363 Energy: 1.4079406589610406 Energy: 1.356973052889636 Energy: 1.3991974031158338 Energy: 1.5120642569099507 Energy: 1.380237795855434 Energy: 1.407886399498775 Energy: 1.474621856093045 Energy: 1.3145149940594183 Energy: 1.3802377958567025 Energy: 1.4078863994991977 Energy: 1.4746218560917768 Energy: 1.40242297542714 Energy: 1.387531725109615 Energy: 1.4953121001959369 Energy: 1.3895285562271074 Energy: 1.4024229754288313 Energy: 1.3875317251079236 Energy: 1.4953121001967826 Energy: 1.367212867863975 Energy: 1.409268602852143 Energy: 1.4922402903833671 Energy: 1.3589078548524847 Energy: 1.3672128678635525 Energy: 1.409268602852143 Energy: 1.4922402903846357 Energy: 1.3960725653337165 Energy: 1.3721914495140446 Energy: 1.4550470443868246 Energy: 1.3562704616395624 Energy: 1.3960725653328707 Energy: 1.3721914495148904 Energy: 1.4550470443880932 Energy: 1.4135904158836972 Energy: 1.3961009340169903 Energy: 1.4370262342913347 Energy: 1.3604720599770448 Energy: 1.4135904158836972 Energy: 1.396100934017413 Energy: 1.4370262342913347 Energy: 1.492381767490435 Energy: 1.3529440839587776 Energy: 1.491699254495722 Energy: 1.344287421793335 Energy: 1.4923817674908575 Energy: 1.3529440839562406 Energy: 1.5042704737265993 Energy: 1.4072990365370508 Energy: 1.3886545922135085 Energy: 1.4007612957105988 Energy: 1.4465600658904072 Energy: 1.4072990365387419 Energy: 1.388654592211817 Energy: 1.4007612957131357 Energy: 1.379749959491626 Energy: 1.3962039162291575 Energy: 1.4851748170132317 Energy: 1.3801555132101226 Energy: 1.3797499594937401 Energy: 1.3962039162308486 Energy: 1.4851748170111174 Energy: 1.403514178038482 Energy: 1.3411611163689519 Energy: 1.5395752531048306 Energy: 1.3162726112854237 Energy: 1.4035141780393274 Energy: 1.341161116368529 Energy: 1.5395752531056761 Energy: 1.436995145169353 Energy: 1.3490812935438978 Energy: 1.5083844751744289 Energy: 1.3873774816753721 Energy: 1.4369951451706218 Energy: 1.3490812935451666 Energy: 1.5083844751740059 Energy: 1.3571895440858195 Energy: 1.3144387652969252 Energy: 1.4442719800915718 Energy: 1.3653351677713121 Energy: 1.3571895440849737 Energy: 1.3144387652965026 Energy: 1.4442719800919948 Energy: 1.3777089427050118 Energy: 1.463235325940979 Energy: 1.4319507724652416 Energy: 1.4109964044341745 Energy: 1.3777089427054345 Energy: 1.463235325940979 Energy: 1.4319507724648188 Energy: 1.364492082090451 Energy: 1.393683868014526 Energy: 1.5771661901704623 Energy: 1.3869030365951178 Energy: 1.3644920820908735 Energy: 1.3936838680157948 Energy: 1.5771661901704623 Energy: 1.3792169984340596 Energy: 1.3942995535180551 Energy: 1.535468428376706 Energy: 1.4022759727010778 Energy: 1.3792169984336369 Energy: 1.3942995535197467 Energy: 1.5354684283783973 Energy: 1.3829432035348972 Energy: 1.4140632103013464 Energy: 1.527298292111951 Energy: 1.407163863639448 Energy: 1.382943203535743 Energy: 1.414063210301769 Energy: 1.527298292112374 minimum gb energy = 1.3144387652965026 eV minimum distance = 2.22360202399859 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.3110362879673223 Energy: 1.3732175479479762 Energy: 1.4823597713485162 Energy: 1.373299790494779 Energy: 1.3110362879648272 Energy: 1.3732175479499724 Energy: 1.4823597713415295 Energy: 1.2908452345444457 Energy: 1.4431537510112395 Energy: 1.3565726824945725 Energy: 1.4439161935996256 Energy: 1.2908452345464418 Energy: 1.4431537510092434 Energy: 1.3565726824925763 Energy: 1.3109671961244187 Energy: 1.2314687747016047 Energy: 1.382624931805669 Energy: 1.320734024544736 Energy: 1.3109671961264147 Energy: 1.2314687747040998 Energy: 1.3826249318036727 Energy: 1.3186037267536326 Energy: 1.4433083779145561 Energy: 1.3569450717500873 Energy: 1.4508356639397466 Energy: 1.3186037267521356 Energy: 1.443308377912061 Energy: 1.3569450717500873 Energy: 1.3901804071147184 Energy: 1.3220805170345116 Energy: 1.3211050458263005 Energy: 1.3217468443782943 Energy: 1.390180407115217 Energy: 1.3220805170315173 Energy: 1.3211050458258013 Energy: 1.291067166983219 Energy: 1.4436363174547706 Energy: 1.5067339592693145 Energy: 1.4472760383399215 Energy: 1.2910671669872114 Energy: 1.4436363174562676 Energy: 1.5067339592728077 Energy: 1.545055990050561 Energy: 1.3227192955282716 Energy: 1.3373073660315558 Energy: 1.3215352928287587 Energy: 1.5450559900495626 Energy: 1.3227192955287703 Energy: 1.3128237142479726 Energy: 1.291511216951303 Energy: 1.3386565617391921 Energy: 1.5069543175490545 Energy: 1.3383753385037935 Energy: 1.2915112169473106 Energy: 1.338656561742685 Energy: 1.5069543175510507 Energy: 1.54495737424285 Energy: 1.3213318357115813 Energy: 1.3593207430412269 Energy: 1.3227823434467694 Energy: 1.5449573742463432 Energy: 1.3213318357140762 Energy: 1.3593207430402285 Energy: 1.2911840268159533 Energy: 1.4473605221507535 Energy: 1.5067436838843284 Energy: 1.4435940644406633 Energy: 1.2911840268179495 Energy: 1.447360522153249 Energy: 1.5067436838833304 Energy: 1.3903623819760114 Energy: 1.3222692322756218 Energy: 1.35805012656182 Energy: 1.3222343128680987 Energy: 1.3903623819780075 Energy: 1.3222692322826082 Energy: 1.3474349917188637 Energy: 1.3187034586097337 Energy: 1.4507605799062784 Energy: 1.3569344071566427 Energy: 1.4434679796076058 Energy: 1.3187034586097337 Energy: 1.4507605799107701 Energy: 1.3569344071546465 Energy: 1.310887906388848 Energy: 1.3206820101738024 Energy: 1.4246901253746793 Energy: 1.231491114335312 Energy: 1.3108879063858536 Energy: 1.3206820101718062 Energy: 1.3858178183750256 Energy: 1.290820057462456 Energy: 1.4434984303062666 Energy: 1.3565124127553945 Energy: 1.4431194478558562 Energy: 1.2908200574674464 Energy: 1.443498430304769 Energy: 1.356512412760884 Energy: 1.3110362879678215 Energy: 1.3732175479484754 Energy: 1.4823597713445236 Energy: 1.373299790494779 Energy: 1.3110362879648272 Energy: 1.3732175479494735 Energy: 1.4823597713435257 Energy: 1.2908452345439467 Energy: 1.4431537510107404 Energy: 1.3565726824940736 Energy: 1.4439161935961324 Energy: 1.2908452345459427 Energy: 1.4431537510102415 Energy: 1.3565726824915783 Energy: 1.3109671961234206 Energy: 1.2314687747021038 Energy: 1.3826249318046708 Energy: 1.320734024544736 Energy: 1.3109671961264147 Energy: 1.231468774703102 Energy: 1.38262493180517 Energy: 1.31860372675513 Energy: 1.4433083779135578 Energy: 1.3569450717505862 Energy: 1.4508356639407447 Energy: 1.3186037267521356 Energy: 1.4433083779125597 Energy: 1.3569450717495881 Energy: 1.3901804071157162 Energy: 1.322080517036009 Energy: 1.3211050458292948 Energy: 1.321746844377795 Energy: 1.3901804071162152 Energy: 1.3220805170300205 Energy: 1.3211050458282967 Energy: 1.291067166983219 Energy: 1.4436363174542715 Energy: 1.5067339592703122 Energy: 1.4472760383409196 Energy: 1.2910671669857143 Energy: 1.4436363174562676 Energy: 1.5067339592718096 Energy: 1.545055990050561 Energy: 1.3227192955287703 Energy: 1.312823714243481 Energy: 1.3215352928287587 Energy: 1.5450559900490635 Energy: 1.3227192955282716 Energy: 1.3128237142479726 Energy: 1.2915112169518022 Energy: 1.3386565617396908 Energy: 1.5069543175485551 Energy: 1.3383753385032944 Energy: 1.2915112169483087 Energy: 1.338656561742685 Energy: 1.5069543175515496 Energy: 1.54495737424285 Energy: 1.3213318357115813 Energy: 1.3593207430407277 Energy: 1.3227823434477675 Energy: 1.5449573742463432 Energy: 1.3213318357135775 Energy: 1.3593207430402285 Energy: 1.2911840268159533 Energy: 1.4473605221507535 Energy: 1.5067436838848274 Energy: 1.443594064439166 Energy: 1.2911840268179495 Energy: 1.44736052215275 Energy: 1.5067436838833304 Energy: 1.3903623819805027 Energy: 1.3222692322761207 Energy: 1.3474349917178654 Energy: 1.3222343128675995 Energy: 1.3903623819795048 Energy: 1.3222692322791147 Energy: 1.3474349917183646 Energy: 1.3187034586092345 Energy: 1.4507605799057797 Energy: 1.3569344071571416 Energy: 1.4434679796066077 Energy: 1.3187034586097337 Energy: 1.4507605799107701 Energy: 1.3569344071531493 Energy: 1.3108879063878496 Energy: 1.3206820101728043 Energy: 1.3858178183740275 Energy: 1.23149111433631 Energy: 1.3108879063878496 Energy: 1.320682010171307 Energy: 1.3858178183770218 Energy: 1.290820057462456 Energy: 1.4434984303067202 Energy: 1.3565124127553945 Energy: 1.4431194478548586 Energy: 1.2908200574674464 Energy: 1.4434984303032723 Energy: 1.3565124127603851 Energy: 1.3110362879668234 Energy: 1.3732175479499724 Energy: 1.4823597713460206 Energy: 1.3732997904942803 Energy: 1.3110362879648272 Energy: 1.3732175479489743 Energy: 1.4823597713445236 Energy: 1.2908452345444457 Energy: 1.4431537510112395 Energy: 1.3565726824940736 Energy: 1.4439161935976295 Energy: 1.2908452345464418 Energy: 1.4431537510092434 Energy: 1.3565726824925763 minimum gb energy = 1.2314687747016047 eV minimum distance = 2.27589182484695 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.383867880833292 Energy: 1.4344657245845607 Energy: 1.4455239252742083 Energy: 1.433106812749932 Energy: 1.383867880833898 Energy: 1.4344657245839545 Energy: 1.4455239252736023 Energy: 1.3968819025657873 Energy: 1.3148265118693057 Energy: 1.4009703581378055 Energy: 1.3138497222966958 Energy: 1.3968819025663934 Energy: 1.3148265118687 Energy: 1.4009703581371997 Energy: 1.3843498928681055 Energy: 1.331826762125337 Energy: 1.398569787114851 Energy: 1.3308052041858756 Energy: 1.3843498928693172 Energy: 1.331826762125337 Energy: 1.3985697871166685 Energy: 1.394346705065547 Energy: 1.3441925908051096 Energy: 1.3913042645848992 Energy: 1.3161287111539055 Energy: 1.394346705064335 Energy: 1.3441925908038979 Energy: 1.3913042645848992 Energy: 1.3138226713058545 Energy: 1.424004720168578 Energy: 1.3226132139893039 Energy: 1.416617195636527 Energy: 1.3138226713058545 Energy: 1.424004720168578 Energy: 1.3226132139905151 Energy: 1.3945257789233414 Energy: 1.3354124549559065 Energy: 1.4031303919476568 Energy: 1.3381351742452388 Energy: 1.3945257789239474 Energy: 1.3354124549565123 Energy: 1.4031303919464453 Energy: 1.3737359624201346 Energy: 1.423969969412104 Energy: 1.3234359242795448 Energy: 1.3689403602711847 Energy: 1.373735962422558 Energy: 1.4239699694114982 Energy: 1.3234359242807565 Energy: 1.3815677279673315 Energy: 1.3243171791673973 Energy: 1.3245392331818888 Energy: 1.3384053350972676 Energy: 1.381567727968543 Energy: 1.3243171791680033 Energy: 1.3245392331824946 Energy: 1.3736508148698947 Energy: 1.3374514519821656 Energy: 1.3893965511533186 Energy: 1.3754203316549016 Energy: 1.3736508148711064 Energy: 1.3374514519803482 Energy: 1.3893965511508957 Energy: 1.388752821811461 Energy: 1.3189560619537695 Energy: 1.3550264193793458 Energy: 1.3247346274922451 Energy: 1.3887528218132783 Energy: 1.3189560619519523 Energy: 1.3550264193787396 Energy: 1.421948418523993 Energy: 1.399508635206226 Energy: 1.3896448493624234 Energy: 1.3661852676169755 Energy: 1.4219484185245987 Energy: 1.3995086352074375 Energy: 1.3896448493618176 Energy: 1.2743100669355907 Energy: 1.3600207161678457 Energy: 1.346861286140312 Energy: 1.2983745894839647 Energy: 1.2743100669355907 Energy: 1.3600207161684514 Energy: 1.3468612861384943 Energy: 1.4676032677162478 Energy: 1.3713652715292146 Energy: 1.4094761755896195 Energy: 1.3442943883735694 Energy: 1.4676032677168536 Energy: 1.3713652715298201 Energy: 1.3935338915984397 Energy: 1.2682703692985282 Energy: 1.3610112156567236 Energy: 1.40167572000509 Energy: 1.363403055555686 Energy: 1.2682703693003456 Energy: 1.3610112156555119 Energy: 1.4016757200056957 Energy: 1.3949366775865257 Energy: 1.288855000661086 Energy: 1.355818698746343 Energy: 1.317834991911456 Energy: 1.3949366775877377 Energy: 1.28885500066048 Energy: 1.355818698747555 Energy: 1.2608832460651571 Energy: 1.4216122832915372 Energy: 1.359780929724839 Energy: 1.368028858234936 Energy: 1.2608832460669746 Energy: 1.4216122832909313 Energy: 1.359780929724233 Energy: 1.3954637277587536 Energy: 1.2879620950859823 Energy: 1.399173382639049 Energy: 1.3175782467784338 Energy: 1.395463727757542 Energy: 1.2879620950847706 Energy: 1.4624113580524793 Energy: 1.260797808704216 Energy: 1.3611364238863985 Energy: 1.3410833076060245 Energy: 1.4143268488871796 Energy: 1.260797808704216 Energy: 1.3611364238870043 Energy: 1.3410833076048125 Energy: 1.3834756107989905 Energy: 1.2914813835717847 Energy: 1.5166204392236986 Energy: 1.3174802587973686 Energy: 1.3834756107983848 Energy: 1.2914813835723904 Energy: 1.5166204392236986 Energy: 1.2603596322381627 Energy: 1.4106149038990377 Energy: 1.344520728433534 Energy: 1.4106547910255944 Energy: 1.2603596322357395 Energy: 1.4106149038996434 Energy: 1.3445207284347456 Energy: 1.3833902664606648 Energy: 1.3174961111406829 Energy: 1.5169084269126207 Energy: 1.2920105843912943 Energy: 1.3833902664612703 Energy: 1.3174961111418948 Energy: 1.5169084269114093 Energy: 1.26074053208065 Energy: 1.4137531314802851 Energy: 1.3411654176142414 Energy: 1.361417523869854 Energy: 1.2607405320788325 Energy: 1.4137531314790732 Energy: 1.3411654176130299 Energy: 1.3951224786620546 Energy: 1.3173767586638154 Energy: 1.3991659892934993 Energy: 1.289074509091419 Energy: 1.3951224786626604 Energy: 1.3173767586638154 Energy: 1.3991659892941053 Energy: 1.26088752945688 Energy: 1.368056308316059 Energy: 1.3597056194763537 Energy: 1.4216206050173907 Energy: 1.2608875294562745 Energy: 1.3680563083166648 Energy: 1.3597056194751418 Energy: 1.3950557193778577 Energy: 1.3157981001844639 Energy: 1.5006404374602147 Energy: 1.2884126005065974 Energy: 1.3950557193784634 Energy: 1.3157981001832522 Energy: 1.5006404374602147 minimum gb energy = 1.2603596322357395 eV minimum distance = 2.23523305122132 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.3820423764106713 Energy: 1.471346002743945 Energy: 1.4780378316428588 Energy: 1.4719201480779402 Energy: 1.3820423764072902 Energy: 1.4713460027473262 Energy: 1.4780378316428588 Energy: 1.4246842660016243 Energy: 1.411220293266733 Energy: 1.4232070961461918 Energy: 1.4108594882405232 Energy: 1.4246842660016243 Energy: 1.4112202932633522 Energy: 1.4232070961495729 Energy: 1.3814562686594511 Energy: 1.4014182808492022 Energy: 1.532847614221508 Energy: 1.3862229409110105 Energy: 1.381456268666213 Energy: 1.4014182808492022 Energy: 1.5328476142248892 Energy: 1.32418414324796 Energy: 1.3900632597990787 Energy: 1.5146420756361954 Energy: 1.4094022209751826 Energy: 1.3241841432581034 Energy: 1.3900632597990787 Energy: 1.5146420756361954 Energy: 1.4255685490298298 Energy: 1.3467375765779264 Energy: 1.4595912221733687 Energy: 1.329505049300306 Energy: 1.4255685490230676 Energy: 1.3467375765745453 Energy: 1.45959122217675 Energy: 1.3232404993785962 Energy: 1.3727805115272687 Energy: 1.4141432154082147 Energy: 1.3550099180203565 Energy: 1.323240499375215 Energy: 1.3727805115272687 Energy: 1.4141432154115958 Energy: 1.373234402433318 Energy: 1.3479251409928266 Energy: 1.4460636947440935 Energy: 1.3617247546728226 Energy: 1.3732344024299368 Energy: 1.3479251409826833 Energy: 1.446063694737331 Energy: 1.324588670467158 Energy: 1.3819279913342055 Energy: 1.4745927635232494 Energy: 1.3460183560715053 Energy: 1.3245886704705387 Energy: 1.3819279913342055 Energy: 1.4745927635164873 Energy: 1.3732889257075402 Energy: 1.3502452172145636 Energy: 1.4779371612722498 Energy: 1.3414951487382163 Energy: 1.3732889257143024 Energy: 1.3502452172145636 Energy: 1.4779371612756311 Energy: 1.3322982312658331 Energy: 1.3820641815304966 Energy: 1.4465836988336713 Energy: 1.3637844816916347 Energy: 1.3322982312658331 Energy: 1.3820641815204149 Energy: 1.4465836988336713 Energy: 1.3726167216553682 Energy: 1.39478738025995 Energy: 1.5122999776351531 Energy: 1.3322800015557308 Energy: 1.3726167216621303 Energy: 1.3947873802531874 Energy: 1.5122999776317723 Energy: 1.3329650842417737 Energy: 1.3322033352609457 Energy: 1.5896877053828067 Energy: 1.3562865942906606 Energy: 1.3329650842383929 Energy: 1.332203335264327 Energy: 1.5896877053895688 Energy: 1.4124369009121895 Energy: 1.380105026637042 Energy: 1.5243517174009944 Energy: 1.3530803803736255 Energy: 1.4124369009088082 Energy: 1.3801050266404231 Energy: 1.524351717397613 Energy: 1.4256182712139422 Energy: 1.4416361868905458 Energy: 1.5866970669362073 Energy: 1.4461931151217449 Energy: 1.4256182712173235 Energy: 1.441636186900689 Energy: 1.5866970669294453 Energy: 1.412085436428522 Energy: 1.438201491033784 Energy: 1.5423380875334902 Energy: 1.450120537841193 Energy: 1.412085436428522 Energy: 1.4382014910371037 Energy: 1.542338087526728 Energy: 1.4255662819670918 Energy: 1.3444849112200015 Energy: 1.4780340401751713 Energy: 1.3562870346695688 Energy: 1.4255662819806159 Energy: 1.3444849112166206 Energy: 1.4780340401751713 Energy: 1.4479015247481062 Energy: 1.3804608548488915 Energy: 1.5429080930834156 Energy: 1.3546612025448317 Energy: 1.4479015247447253 Energy: 1.3804608548421293 Energy: 1.5429080930834156 Energy: 1.3330910748240878 Energy: 1.3457564982502481 Energy: 1.4307481350923463 Energy: 1.3731394453900607 Energy: 1.333091074827469 Energy: 1.3457564982502481 Energy: 1.4307481350889655 Energy: 1.4277282536288052 Energy: 1.407190159537755 Energy: 1.4681012841767218 Energy: 1.411078725886556 Energy: 1.4277282536254243 Energy: 1.407190159541136 Energy: 1.4681012841733405 Energy: 1.339072337188779 Energy: 1.3779084728828246 Energy: 1.4541064428542518 Energy: 1.3484070210467858 Energy: 1.339072337188779 Energy: 1.3779084728760624 Energy: 1.4541064428474897 Energy: 1.3301380484853933 Energy: 1.3582874620334349 Energy: 1.4957365773192581 Energy: 1.4530618434678488 Energy: 1.3301380484853933 Energy: 1.3582874620368162 Energy: 1.495736577315877 Energy: 1.3394439541884082 Energy: 1.3851190047311999 Energy: 1.435364998195379 Energy: 1.3578170133004233 Energy: 1.3394439541850272 Energy: 1.385119004724438 Energy: 1.4353649981919983 Energy: 1.3992389722950083 Energy: 1.3449809473236694 Energy: 1.4091277150636183 Energy: 1.4330498805630525 Energy: 1.399238972298389 Energy: 1.3449809473236694 Energy: 1.4091277150602375 Energy: 1.355653190306291 Energy: 1.3737073364322616 Energy: 1.417153975830106 Energy: 1.3410211634980396 Energy: 1.3556531903096718 Energy: 1.3737073364322616 Energy: 1.417153975830106 Energy: 1.33044925121517 Energy: 1.4107673145430304 Energy: 1.5143807573896566 Energy: 1.4924416466688109 Energy: 1.330449251208408 Energy: 1.4107673145464117 Energy: 1.5143807573795136 Energy: 1.3760245206117454 Energy: 1.4252173935444286 Energy: 1.4869285576211122 Energy: 1.3979439698055367 Energy: 1.3760245206151263 Energy: 1.4252173935410477 Energy: 1.4869285576244933 Energy: 1.4185918587948656 Energy: 1.4032131827417347 Energy: 1.5050769762661915 Energy: 1.496821490422207 Energy: 1.4185918587981854 Energy: 1.403213182745116 Energy: 1.5050769762594296 Energy: 1.3587543418158947 Energy: 1.4528346012175066 Energy: 1.5206207708804171 Energy: 1.4542236259707206 Energy: 1.3587543418158947 Energy: 1.4528346012141256 Energy: 1.5206207708905601 Energy: 1.4163038248440463 Energy: 1.38668902075609 Energy: 1.4114602158988077 Energy: 1.495610967378562 Energy: 1.4163038248406652 Energy: 1.3866890207527087 Energy: 1.4114602158988077 Energy: 1.3606432844396317 Energy: 1.421542703488283 Energy: 1.4235968124763725 Energy: 1.403465907982767 Energy: 1.360643284443013 Energy: 1.4215427034916637 Energy: 1.4235968124729912 Energy: 1.3921025609930793 Energy: 1.3856315401546802 Energy: 1.5443167444811028 Energy: 1.497916705813341 Energy: 1.3921025609964601 Energy: 1.385631540151299 Energy: 1.5443167444777217 Energy: 1.3458011481654468 Energy: 1.3474468230197314 Energy: 1.461935616607738 Energy: 1.3416858433324093 Energy: 1.3458011481620655 Energy: 1.3474468230197314 Energy: 1.461935616604357 Energy: 1.3923339445212892 Energy: 1.356993019100966 Energy: 1.4142413657900175 Energy: 1.415671862642105 Energy: 1.392333944511146 Energy: 1.356993019111109 Energy: 1.4142413657900175 Energy: 1.3289691068081353 Energy: 1.3471907838283814 Energy: 1.3843626701740894 Energy: 1.3494699218111712 Energy: 1.328969106804754 Energy: 1.3471907838283814 Energy: 1.3843626701673275 Energy: 1.3493062853510358 Energy: 1.321639424487642 Energy: 1.4969484231024168 Energy: 1.4300962488790656 Energy: 1.3493062853442739 Energy: 1.321639424487642 Energy: 1.4969484231024168 Energy: 1.3289075988704817 Energy: 1.3493314639412841 Energy: 1.381894981265797 Energy: 1.3351217552294758 Energy: 1.3289075988772434 Energy: 1.349331463944665 Energy: 1.381894981265797 Energy: 1.3491122205019583 Energy: 1.3335571890516027 Energy: 1.4588299063350116 Energy: 1.436944558304717 Energy: 1.3491122204951966 Energy: 1.3335571890583644 Energy: 1.4588299063383925 Energy: 1.3314554796791334 Energy: 1.331206759330305 Energy: 1.4263535050360658 Energy: 1.3350647633554966 Energy: 1.3314554796825147 Energy: 1.331206759330305 Energy: 1.426353505039447 Energy: 1.3487592722217179 Energy: 1.3943710171284245 Energy: 1.5496235933060396 Energy: 1.428940540316406 Energy: 1.348759272225099 Energy: 1.394371017121662 Energy: 1.5496235933060396 Energy: 1.3293068195200224 Energy: 1.398845710298283 Energy: 1.447032188705658 Energy: 1.3900330038088737 Energy: 1.329306819516641 Energy: 1.398845710301664 Energy: 1.4470321887090392 Energy: 1.4159388392015664 Energy: 1.4083358474685213 Energy: 1.586969624990305 Energy: 1.4282899580312953 Energy: 1.4159388392083283 Energy: 1.4083358474651402 Energy: 1.586969624990305 Energy: 1.3303922124147254 Energy: 1.457306084991843 Energy: 1.5377958938714469 Energy: 1.4595632541550165 Energy: 1.3303922124147254 Energy: 1.4573060849952244 Energy: 1.5377958938748277 Energy: 1.3942895952868495 Energy: 1.4083264531949244 Energy: 1.549742397340703 Energy: 1.4286218252309355 Energy: 1.3942895952800871 Energy: 1.4083264531949244 Energy: 1.549742397337322 Energy: 1.3679075212199667 Energy: 1.3828394533406092 Energy: 1.5296556990063594 Energy: 1.3585799625045538 Energy: 1.3679075212233478 Energy: 1.38283945334399 Energy: 1.5296556990063594 Energy: 1.332353587349168 Energy: 1.4065652974073133 Energy: 1.547554381265033 Energy: 1.4430787367310447 Energy: 1.3323535873525492 Energy: 1.4065652974106944 Energy: 1.547554381265033 minimum gb energy = 1.321639424487642 eV minimum distance = 2.2175178360421 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.457971400293425 Energy: 1.2149441775816736 Energy: 1.213040678593046 Energy: 1.214944177580149 Energy: 1.4579714002919002 Energy: 1.2149441775816736 Energy: 1.1753101966312605 Energy: 1.4579714002919002 Energy: 1.2149441775816736 Energy: 1.305160007461271 Energy: 1.2149441775824361 Energy: 1.4579714002926625 Energy: 1.2149441775816736 Energy: 1.1753101966442194 Energy: 1.4579714002919002 Energy: 1.214944177580149 Energy: 1.2147985250681927 Energy: 1.214944177583926 Energy: 1.457971400293425 Energy: 1.2149441775809116 Energy: 1.1753101966198607 Energy: 1.457971400293425 Energy: 1.2149441775816736 Energy: 1.2199163267475552 Energy: 1.214944177580149 Energy: 1.4579714002919002 Energy: 1.214944177580149 Energy: 1.1753101965832704 Energy: 1.4579714002919002 Energy: 1.2149441775816736 Energy: 1.3122093564388484 Energy: 1.2149441775816736 Energy: 1.4579714002926625 Energy: 1.214944177580149 Energy: 1.1753101965939425 Energy: 1.4579714002919002 Energy: 1.214944177580149 Energy: 1.2418484533891445 Energy: 1.2149441775809116 Energy: 1.4579714002926625 Energy: 1.2149441775816736 Energy: 1.1753101965665 Energy: 1.457971400293425 Energy: 1.214944177580149 Energy: 1.2199163789407617 Energy: 1.2149441775793868 Energy: 1.4579714002919002 Energy: 1.2149441775778622 Energy: 1.1753101965626884 Energy: 1.4579714002919002 Energy: 1.2149441775824361 Energy: 1.1753101965025017 Energy: 1.2149441775816736 Energy: 1.4579714002919002 Energy: 1.214944177580149 Energy: 1.1753101965474773 Energy: 1.457971400291138 Energy: 1.2149441775793868 Energy: 1.2147984750397283 Energy: 1.2149441775816736 Energy: 1.457971400293425 Energy: 1.2149441775824361 Energy: 1.1753101965238462 Energy: 1.457971400293425 Energy: 1.2149441775809116 Energy: 1.1753101964590857 Energy: 1.214944177580149 Energy: 1.4579714002926625 Energy: 1.2149441775786245 Energy: 1.175310196513174 Energy: 1.4579714002919002 Energy: 1.2149441775816736 Energy: 1.1753101964636594 Energy: 1.2149441775816736 Energy: 1.4579714002919002 Energy: 1.2149441775809116 Energy: 1.175310196493354 Energy: 1.4579714002919002 Energy: 1.2149441775809116 Energy: 1.1753101964453645 Energy: 1.2149441775809116 Energy: 1.457971400293425 Energy: 1.2149441775809116 Energy: 1.1753101964842068 Energy: 1.4579714002941873 Energy: 1.2149441775809116 Energy: 1.1753101964407906 Energy: 1.2149441775816736 Energy: 1.4579714002926625 Energy: 1.2149441775786245 Energy: 1.1753101964826822 Energy: 1.4579714002919002 Energy: 1.2149441775809116 Energy: 1.1753101964118235 Energy: 1.2149441775824361 Energy: 1.4579714002919002 Energy: 1.214944177580149 Energy: 1.1753101964552743 Energy: 1.4579714002919002 Energy: 1.2149441775793868 Energy: 1.1753101963935633 Energy: 1.2149441775809116 Energy: 1.457971400293425 Energy: 1.2149441775824361 Energy: 1.1753101964537498 Energy: 1.457971400293425 Energy: 1.2149441775809116 Energy: 1.175310196369932 Energy: 1.214944177580149 Energy: 1.4579714002926625 Energy: 1.214944177580149 Energy: 1.1753101964194466 Energy: 1.4579714002919002 Energy: 1.2149441775816736 Energy: 1.1753101963760304 Energy: 1.2149441775816736 Energy: 1.4579714002919002 Energy: 1.214944177580149 Energy: 1.1753101964110613 Energy: 1.4579714002919002 Energy: 1.214944177580149 Energy: 1.175310196356973 Energy: 1.2149441775816736 Energy: 1.4579714002926625 Energy: 1.2149441775816736 Energy: 1.1753101964095367 Energy: 1.457971400293425 Energy: 1.2149441775809116 Energy: 1.175310196340965 Energy: 1.214944177580149 Energy: 1.4579714002919002 Energy: 1.2149441775793868 Energy: 1.175310196385178 Energy: 1.4579714002919002 Energy: 1.2149441775809116 Energy: 1.1753101963463009 Energy: 1.2149441775816736 Energy: 1.4579714002919002 Energy: 1.214944177580149 Energy: 1.1753101963828911 minimum gb energy = 1.175310196340965 eV minimum distance = 2.37521290848577 Angstroms sigma value = 23