add custom pair style tests for reax/c and edip/multi (c503bba0) · Commits · 郑智淋 / lammps

unittest/force-styles/tests/atomic-pair-reax_c.yaml

0 → 100644

+172 −0

Original line number	Original line	Diff line number	Diff line
			---
			lammps_version: 21 Aug 2020
			date_generated: Sun Aug 23 06:35:54 202
			epsilon: 5e-12
			prerequisites: ! \|
			pair reax/c
			fix qeq/reax
			pre_commands: ! \|
			echo screen
			variable newton_pair delete
			variable newton_pair index on
			atom_modify map array
			units real
			atom_style charge
			lattice diamond 3.77
			region box block 0 2 0 2 0 2
			create_box 2 box
			create_atoms 1 box
			displace_atoms all random 0.1 0.1 0.1 623426
			mass 1 12.0
			mass 2 13.0
			set type 1 type/fraction 2 0.5 998877
			set type 1 charge 0.01
			set type 2 charge -0.01
			velocity all create 100 4534624 loop geom
			post_commands: ! \|
			fix qeq all qeq/reax 1 0.0 8.0 1.0e-12 reax/c
			input_file: in.empty
			pair_style: reax/c NULL checkqeq yes
			pair_coeff: ! \|
			* * ffield.reax.mattsson C O
			extract: ! ""
			natoms: 64
			init_vdwl: -4208.20379453327
			init_coul: -268.025868109969
			init_stress: ! \|2-
			2.3677048490920824e+03 3.0802122558803894e+03 1.2727815110256352e+03 -1.5387991688244833e+03 -1.0906364142624241e+03 1.1229877249520346e+03
			init_forces: ! \|2
			1 2.9634051452159092e+01 -5.6267761875030658e+02 -1.6668253255975264e+02
			2 -1.5938437728854763e+02 -2.2076601831952277e+02 -1.7161994484506349e+02
			3 -3.1194106231120934e+01 -3.0591930644164984e+02 4.4652570958886855e+01
			4 4.4646653320086006e+02 1.7080811286682768e+02 1.7439026170464757e+02
			5 -1.1512606621586120e+02 7.9716954463543715e+01 1.7959700550169842e+01
			6 -7.1695199301551634e+02 4.0749156821010061e+01 2.1512037025864390e+02
			7 2.3022543693157868e+02 -9.0170756873660693e+01 8.2190170006827103e+01
			8 -2.1141251466323027e+01 -1.5635879347049067e+02 1.6101907187949953e+02
			9 -1.2130842270575529e+02 -2.7960689135673749e+02 -1.9629114850260629e+02
			10 -3.7631710890081683e+02 3.4103240548842098e+02 -1.8166279141141010e+02
			11 -1.6154553323830120e+02 1.5743068117734555e+02 3.5832389058238908e+02
			12 6.1602989065533677e+02 -1.4821564423137232e+02 1.0871005319359449e+02
			13 -2.1366561068611992e+02 -3.0163595494862591e+02 5.2420406156009221e+02
			14 2.5933950255870195e+02 -1.7967300062480934e+01 -2.7733367021033393e+02
			15 1.7570537661851756e+02 1.7550639099552842e+02 -9.5789475936401502e+01
			16 3.0588529285446674e+02 -4.7675556549182751e+01 -3.4330544488853229e+02
			17 -1.5018545342641502e+02 1.3259542010622835e+02 2.3200545258695152e+02
			18 1.6469564396901859e+02 -1.0816413254504512e+02 2.1207485840072781e+02
			19 2.4759285902953567e+02 -4.8758383780475292e+01 -2.2494100786652814e+02
			20 1.2418785577595527e+02 2.5137242577522335e+02 -1.5341186115707405e+01
			21 -1.9556210564940739e+02 2.3152590535605817e+01 -1.2529729601983919e+02
			22 2.4829386068621537e+02 -2.9828789153725000e+02 -4.0455445433034242e+01
			23 8.2076007650246268e+01 1.3042103437660427e+02 1.5221389911908562e+02
			24 -7.6912973583004117e+01 2.3539925428997182e+02 -1.7129603802759658e+02
			25 -2.9782413878288601e+01 -1.8931910469290884e+02 6.7989202537834629e+01
			26 -3.9488494691858733e+01 2.1025614474841166e+00 -2.0748963060927093e+02
			27 -2.7704110443954568e+02 5.3736974078111837e+02 4.2318884882982655e+02
			28 -2.9303219943086964e+02 -5.1154115419315801e+01 -2.3633993403319352e+02
			29 1.2970484011863229e+02 -4.2266229540891523e+01 1.6350076615001245e+02
			30 5.6925606430450244e+01 3.7880191852738363e+01 6.8636397133393515e+01
			31 -1.9325596697344542e+02 -1.1645368911552394e+02 -2.0671692761029085e+01
			32 1.2360965200003356e+02 -3.3253411369799544e+01 -1.0516118459008628e+02
			33 6.5241847803264264e+01 3.7105112939426823e+02 6.0972558235487462e+01
			34 -2.3124259597670152e+02 -1.1681740329837199e+02 -2.5838262648349195e+02
			35 -4.1912226107435538e+02 7.9942920270919515e+01 3.1021023518178822e+02
			36 -1.8561789047275289e+02 -1.1563628711158724e+02 -4.2360172436739234e+01
			37 8.8271496723997984e+00 -3.5266450940740185e+02 -6.0505384072464253e+01
			38 -1.9249505149150679e+01 1.1716319600328805e+02 -2.3477222840192979e+02
			39 -1.0433878247256505e+01 -7.0902801856124668e+01 1.4264113912371403e+02
			40 3.3265570779159901e+02 -8.8675933035708010e+02 1.6250845779831312e+01
			41 -6.4537349815542413e+01 1.5189506353207591e+02 -1.8225353662815957e+02
			42 2.3368723487133941e+01 1.1821526859991214e+02 4.1207323013177859e+02
			43 -3.5145546474481449e+01 -3.6511647370571314e+00 2.4936793079195368e+02
			44 -1.2881828259629406e+00 -2.4877240180809443e+02 7.9235766494652268e+01
			45 2.0871504532583336e+02 -1.0817588901332421e+02 -4.1291808327418767e+02
			46 -1.3837716960724282e+02 4.6114279241771982e+02 -2.4013801845132105e+02
			47 1.3255320792807126e+02 2.8747276038957534e+02 -3.2896384987639095e+01
			48 7.8145138718960652e+02 6.5215432481087248e+01 -6.2304789958695994e+02
			49 2.4486314507349098e+02 1.9101300126648027e+01 3.7417037047533785e+02
			50 2.9821275118609668e+02 3.0684252095011033e+02 5.6994896759607411e+02
			51 -8.0052405736428466e+02 5.1024940640343124e+02 7.5829315450302556e+02
			52 -9.2130898885920971e+01 1.1909837120722435e+02 -2.4118832391136704e+02
			53 -3.6386926333492499e+02 -2.0729203700042348e+02 -3.4910517647674493e+02
			54 -8.3399710534859324e+01 1.8942260327527066e+02 -1.2868598438441273e+02
			55 -2.5305956575882524e+02 -1.1005916187119085e+02 -3.0893514828401271e+02
			56 1.7364614503186098e+02 -2.5754370913466397e+02 -4.3744509948530059e+01
			57 4.2667925201490533e+02 1.5529221173801471e+02 -3.9988499000695890e+02
			58 -3.9656744140931579e+01 7.8953243693622596e+01 2.6135299122214326e+02
			59 -2.7594240444747766e+02 1.9891763338576968e+02 2.4122500794444767e+02
			60 -2.5675904361267118e+02 -1.1527171320999500e+02 9.9923550442604068e+01
			61 3.0884427580032076e+02 4.9986415802554944e+02 -1.3369122169845875e+02
			62 2.8530106503430972e+01 5.9540697567549117e-01 -2.7403025931165831e+02
			63 2.5297054006405324e+02 -2.7640485799390927e+02 -1.9200503841891754e+02
			64 -8.4680445259235810e+01 -1.5737027404334836e+02 1.5637808719891763e+02
			run_vdwl: -4208.20960310156
			run_coul: -268.025834774416
			run_stress: ! \|2-
			2.3675903993358406e+03 3.0802227297812642e+03 1.2727311522665882e+03 -1.5388669378280856e+03 -1.0907269208274088e+03 1.1229243202747448e+03
			run_forces: ! \|2
			1 2.9635294281436092e+01 -5.6267712552700186e+02 -1.6667999923843206e+02
			2 -1.5938673400140527e+02 -2.2076536449677653e+02 -1.7162354129440891e+02
			3 -3.1189858281210785e+01 -3.0593580065887033e+02 4.4645958607345577e+01
			4 4.4646581891377559e+02 1.7080959763779822e+02 1.7439093938229493e+02
			5 -1.1512839796352765e+02 7.9717058687958001e+01 1.7957487669481100e+01
			6 -7.1695602565953550e+02 4.0752829698478386e+01 2.1512533839223761e+02
			7 2.3022644486507866e+02 -9.0168915600464501e+01 8.2194655874286369e+01
			8 -2.1149264848910175e+01 -1.5637111051646082e+02 1.6102981315503155e+02
			9 -1.2130987756625950e+02 -2.7961363383960696e+02 -1.9628960069621482e+02
			10 -3.7631817089739258e+02 3.4103259385919483e+02 -1.8166532788364435e+02
			11 -1.6154687915100456e+02 1.5742797820605873e+02 3.5832199951133140e+02
			12 6.1603841944552107e+02 -1.4820397700260011e+02 1.0871524086045234e+02
			13 -2.1367529106982624e+02 -3.0167446795645282e+02 5.2424091634214585e+02
			14 2.5933827511245227e+02 -1.7968203382107991e+01 -2.7733114072560983e+02
			15 1.7570793004227912e+02 1.7551005525189765e+02 -9.5784231788957229e+01
			16 3.0586985592964720e+02 -4.7679566106090903e+01 -3.4332192731516005e+02
			17 -1.5018636472319054e+02 1.3259146324636768e+02 2.3200578297682745e+02
			18 1.6469881174797919e+02 -1.0816836176970681e+02 2.1207670716671672e+02
			19 2.4759420520521982e+02 -4.8758383157848726e+01 -2.2494116682891169e+02
			20 1.2419960666459312e+02 2.5137933265677643e+02 -1.5328241144786812e+01
			21 -1.9556094492813440e+02 2.3151723981859487e+01 -1.2529581330695682e+02
			22 2.4829941584472434e+02 -2.9829345245026002e+02 -4.0446702084680311e+01
			23 8.2074458696897636e+01 1.3042100306278206e+02 1.5221371881645402e+02
			24 -7.6917668833393961e+01 2.3540360228741474e+02 -1.7130192995348895e+02
			25 -2.9742104523748988e+01 -1.8935699467866542e+02 6.7995874219778344e+01
			26 -3.9494943772414118e+01 2.1074054700131106e+00 -2.0748981609909322e+02
			27 -2.7704003655188802e+02 5.3736954143358219e+02 4.2318574013795291e+02
			28 -2.9302855291141344e+02 -5.1149666119061756e+01 -2.3633679976969094e+02
			29 1.2970505460316522e+02 -4.2266433901186595e+01 1.6349685185829642e+02
			30 5.6925896868100061e+01 3.7880918758124416e+01 6.8637128510118643e+01
			31 -1.9325534294267334e+02 -1.1645328076630720e+02 -2.0671892621504433e+01
			32 1.2360198063047470e+02 -3.3253019999994883e+01 -1.0516936549572080e+02
			33 6.5239383936127538e+01 3.7104662858441014e+02 6.0974455303813109e+01
			34 -2.3124084085048867e+02 -1.1681523003062699e+02 -2.5837805461659735e+02
			35 -4.1912113383003572e+02 7.9943750613190943e+01 3.1020725803699969e+02
			36 -1.8561422052416717e+02 -1.1563434085907485e+02 -4.2360108129760114e+01
			37 8.8275421439853545e+00 -3.5266971563414063e+02 -6.0507541452884695e+01
			38 -1.9245036832008864e+01 1.1717726898956253e+02 -2.3478417248390394e+02
			39 -1.0434224692455489e+01 -7.0902644440221152e+01 1.4263978421851866e+02
			40 3.3271177801104579e+02 -8.8679293552758975e+02 1.6219742097522396e+01
			41 -6.4538764985979284e+01 1.5189397693612446e+02 -1.8225441696827028e+02
			42 2.3368235855950271e+01 1.1822246665265955e+02 4.1207745038608465e+02
			43 -3.5145643416957128e+01 -3.6517162539675607e+00 2.4936784353003958e+02
			44 -1.2879745401173426e+00 -2.4877345145177651e+02 7.9236449970532846e+01
			45 2.0871643412343590e+02 -1.0817571271652029e+02 -4.1291831345583290e+02
			46 -1.3836372705500636e+02 4.6117938292216792e+02 -2.4016736526257426e+02
			47 1.3255125611053478e+02 2.8747591615862939e+02 -3.2895660248580036e+01
			48 7.8145417759941688e+02 6.5214930060474302e+01 -6.2304930828901490e+02
			49 2.4488281403350587e+02 1.9105496615734893e+01 3.7418605144315814e+02
			50 2.9822129513623162e+02 3.0683153982649424e+02 5.6994490418787450e+02
			51 -8.0058572063723739e+02 5.1028617285810617e+02 7.5832431569053767e+02
			52 -9.2137024513584748e+01 1.1910687193191870e+02 -2.4119120858089093e+02
			53 -3.6387082584370717e+02 -2.0729771077034724e+02 -3.4910499737703145e+02
			54 -8.3401322475858819e+01 1.8942466656608883e+02 -1.2869045777950635e+02
			55 -2.5309678413623661e+02 -1.1001947899860551e+02 -3.0896372370111590e+02
			56 1.7364604573970860e+02 -2.5754429115057047e+02 -4.3743962049926409e+01
			57 4.2666362581830975e+02 1.5528157995548534e+02 -3.9988032807883297e+02
			58 -3.9656744873436978e+01 7.8953170998895359e+01 2.6135222052438655e+02
			59 -2.7594581611220792e+02 1.9891770704106938e+02 2.4122933700028292e+02
			60 -2.5675992319674720e+02 -1.1527235824442458e+02 9.9923831048598458e+01
			61 3.0884428120727830e+02 4.9986711220603212e+02 -1.3369013376809971e+02
			62 2.8530678742782751e+01 5.9283151666778267e-01 -2.7403002505086550e+02
			63 2.5296775626792288e+02 -2.7640525289650611e+02 -1.9200401038421046e+02
			64 -8.4674586435418931e+01 -1.5736397776818120e+02 1.5637348700606000e+02
			...

unittest/force-styles/tests/atomic-pair-reax_c_lgvdw.yaml

0 → 100644

+172 −0

Original line number	Original line	Diff line number	Diff line
			---
			lammps_version: 21 Aug 2020
			date_generated: Sun Aug 23 06:41:04 202
			epsilon: 5e-11
			prerequisites: ! \|
			pair reax/c
			fix qeq/reax
			pre_commands: ! \|
			echo screen
			variable newton_pair delete
			variable newton_pair index on
			atom_modify map array
			units real
			atom_style charge
			lattice diamond 3.77
			region box block 0 2 0 2 0 2
			create_box 2 box
			create_atoms 1 box
			displace_atoms all random 0.1 0.1 0.1 623426
			mass 1 12.0
			mass 2 13.0
			set type 1 type/fraction 2 0.5 998877
			set type 1 charge 0.01
			set type 2 charge -0.01
			velocity all create 100 4534624 loop geom
			post_commands: ! \|
			fix qeq all qeq/reax 1 0.0 8.0 1.0e-12 reax/c
			input_file: in.empty
			pair_style: reax/c NULL checkqeq yes lgvdw yes safezone 1.6
			pair_coeff: ! \|
			* * ffield.reax.lg C O
			extract: ! ""
			natoms: 64
			init_vdwl: -3780.05455778888
			init_coul: -279.915673357255
			init_stress: ! \|2-
			3.6448951295886809e+03 3.7339747706707872e+03 3.9381618834038791e+03 -8.8619786783545931e+02 2.5350870087071300e+02 -5.2815321737906061e+02
			init_forces: ! \|2
			1 -1.4572029645683264e+02 -2.2140279106291507e+02 -1.4808209307797372e+02
			2 -1.7648559093934148e+02 -1.0146253457806542e+02 -1.7990394625657274e+01
			3 -2.0615681734642330e+01 -4.0343795757803508e+02 -3.8603528931018054e+01
			4 2.6614805335034998e+02 4.0003808276416684e+01 1.4690013778960667e+02
			5 9.7835379063416177e+00 4.3883349405662791e+01 4.9796878717762787e+01
			6 -2.6938292077229727e+02 3.3510334278335421e+00 2.2965715764113384e+02
			7 3.2574907048037380e+02 -1.7976941537341810e+02 2.2179461677416583e+02
			8 9.9964451146865471e+01 -2.8685082304987185e+02 1.4158552983794476e+02
			9 1.6434754325282601e+01 -1.9355787416131696e+02 -9.4334270045756043e+01
			10 -2.0854046881408067e+02 1.0026332198593936e+02 -1.5021108992594620e+02
			11 -2.0573869228583661e+02 2.7604115414799344e+02 5.5777178022191936e+02
			12 5.0287983468578147e+02 -6.0967301596834591e+02 3.9376960681073700e+02
			13 -9.1248851272055674e+01 3.5482322889104140e+01 7.9771590707710800e+01
			14 1.1722782444599024e+02 7.0786340536242163e+00 -1.1012937857655862e+02
			15 2.0459798791677210e+02 1.1350278391711655e+01 -6.9643830810411416e+01
			16 6.4801734481789666e+01 2.7717249468796996e+02 9.6968479199374073e+01
			17 -1.1757359629210440e+02 7.5596700050451688e+01 8.2370289516995197e+00
			18 1.4980090631536169e+02 4.6438235985629220e+01 1.9074239639237979e+02
			19 9.9231823331994249e+01 -3.4161546701845765e+01 -9.3483634123621087e+01
			20 3.4394881232874110e+02 1.8755825664166662e+02 1.8392127409682581e+02
			21 -1.7639610172391272e+02 5.9887963695524753e+01 2.3192666899298981e+01
			22 3.5943370198457734e+02 -4.9707358210204012e+02 2.0606470760846634e+02
			23 1.7581454592506283e+01 2.1298589011272401e+02 1.9485076353331874e+02
			24 -1.8644255768132263e+02 2.0152190140053236e+02 -1.5033309490489984e+02
			25 6.6423577752363499e+01 -2.6628307450649118e+02 6.5041785228006987e+01
			26 -2.9537785779457244e+02 1.8889631581804576e+02 8.6386764001190215e+01
			27 1.0405918844455742e+02 -2.5941844595001200e+00 -6.3479328226780297e+01
			28 -1.7940076477784703e+02 -1.9073773001560042e+02 -1.6921173789426470e+02
			29 2.8517719341938289e+02 -9.8606325860704928e+01 -1.5865623093424992e+02
			30 3.3012242903480393e-01 9.9396498728799443e+01 3.2850839694515677e+00
			31 -1.8086381055199379e+00 -5.1096382098849077e+01 6.0017778789149006e+00
			32 3.1529080422017097e+02 -1.2793618573898891e+02 -2.4176655958597905e+02
			33 -5.4059845316529982e+00 1.7567793716993873e+02 -1.1807703472018468e+02
			34 -1.9400422792080016e+02 -1.0951834015498645e+02 -1.5439493063315896e+02
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			47 7.0999436005486899e+01 2.6787204282530024e+02 -2.6037631699380153e+01
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			52 -3.9361841716365302e+02 2.9260629050190221e+02 -2.7081695001177656e+02
			53 -1.2156822810124922e+03 1.0481194207223216e+03 -1.7260439380729260e+03
			54 5.4550048561223889e+01 1.0309107570306772e+02 -6.1755737140629734e+01
			55 -2.0237966584139775e+02 1.8109638545320627e+02 -4.9049185930881845e+02
			56 2.0035852288703015e+02 -1.8905601495144680e+02 -1.3674988378339864e+02
			57 -1.7850181832398803e+02 -3.3738128559238868e+02 -1.4864548151794997e+02
			58 -2.5672973403862750e+02 -1.3337752501158548e+02 8.4361840521538781e+01
			59 -1.7898419258529674e+02 1.8142061294130923e+02 2.7914590931082478e+02
			60 -7.4397281468755821e+01 -6.8191313100547362e+01 5.7945873657168903e+01
			61 9.6097455977519928e+01 4.4560160451051973e+02 5.3539867605744419e+01
			62 3.3100209418397625e+01 1.3292271559420541e+02 -3.6118667405609742e+01
			63 -2.5659895412732226e+01 -3.1619326785330378e+02 5.0013180663156710e+01
			64 2.5886074093968855e+01 -6.0852122206871925e+01 7.5059691631914314e+00
			run_vdwl: -3780.05347390992
			run_coul: -279.915602843914
			run_stress: ! \|2-
			3.6449190860682643e+03 3.7339547135739058e+03 3.9381731084171565e+03 -8.8617648240339543e+02 2.5350122212091981e+02 -5.2818520710537973e+02
			run_forces: ! \|2
			1 -1.4571798162167252e+02 -2.2140580848061688e+02 -1.4808148933254313e+02
			2 -1.7648308397779235e+02 -1.0146477741996672e+02 -1.7988558948131221e+01
			3 -2.0614227228633823e+01 -4.0344097417855238e+02 -3.8604729133131215e+01
			4 2.6614888483484418e+02 4.0003234613562718e+01 1.4690057491500562e+02
			5 9.7845353993210757e+00 4.3882567909729040e+01 4.9797207642045677e+01
			6 -2.6938082734775594e+02 3.3524823444182630e+00 2.2965816523899235e+02
			7 3.2575187542507791e+02 -1.7977227944937169e+02 2.2179960580675152e+02
			8 9.9964011515726739e+01 -2.8685358089601482e+02 1.4158731106157231e+02
			9 1.6438524923736644e+01 -1.9355302991489253e+02 -9.4334960672514242e+01
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			12 5.0285711778760270e+02 -6.0968357929450372e+02 3.9377681166481295e+02
			13 -9.1246236584998883e+01 3.5490065792296186e+01 7.9756754045764964e+01
			14 1.1722762015217488e+02 7.0777587800518864e+00 -1.1012808747152181e+02
			15 2.0459886374792103e+02 1.1352434902632419e+01 -6.9641008537041586e+01
			16 6.4819488894277626e+01 2.7717767285477504e+02 9.6971206512117831e+01
			17 -1.1757145373858191e+02 7.5598283763031333e+01 8.2344537953401620e+00
			18 1.4979763484000514e+02 4.6437981230754680e+01 1.9074030927267040e+02
			19 9.9232177039551743e+01 -3.4161491191063057e+01 -9.3482743694123911e+01
			20 3.4394272911489560e+02 1.8755951153575882e+02 1.8391751542140381e+02
			21 -1.7639675023083032e+02 5.9884188602876513e+01 2.3197830826168012e+01
			22 3.5944608335498276e+02 -4.9708524898876021e+02 2.0607149093293810e+02
			23 1.7579271068638736e+01 2.1298728097754687e+02 1.9485168054795750e+02
			24 -1.8644003680983860e+02 2.0152727772546126e+02 -1.5032646302314092e+02
			25 6.6427890225862839e+01 -2.6628950112809588e+02 6.5040867172812568e+01
			26 -2.9538210986747896e+02 1.8889963664467763e+02 8.6392520853920516e+01
			27 1.0405463527343457e+02 -2.5883797810836899e+00 -6.3473815684801785e+01
			28 -1.7939102939145226e+02 -1.9072998240489997e+02 -1.6920314161246782e+02
			29 2.8518125846098656e+02 -9.8610707014135585e+01 -1.5865904861816750e+02
			30 3.2948855593638848e-01 9.9396107066086955e+01 3.2866521919189089e+00
			31 -1.8093342589558659e+00 -5.1090324665848712e+01 5.9965783206663161e+00
			32 3.1528757881180007e+02 -1.2794634397194349e+02 -2.4177668881260021e+02
			33 -5.4083133243805372e+00 1.7567908978406618e+02 -1.1807415000724265e+02
			34 -1.9400316636479977e+02 -1.0951814437454595e+02 -1.5439329543504013e+02
			35 -1.9195026719711194e+02 -1.2774392196243292e+01 1.3164394415174289e+02
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			37 -3.3553755452540895e+02 -4.9646067746196536e+02 2.1990265059231979e+02
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			40 -6.4361324286781183e+01 1.7841294566727018e+02 1.6199313424706546e+02
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			42 -2.9452038269198692e+02 4.3373690323403952e+02 4.3706797334309402e+02
			43 1.3265462163819998e+02 -2.9274830054471895e+01 2.3064015623266641e+02
			44 1.0054965815688162e+02 -2.0011417092775127e+02 1.1673395109270328e+02
			45 1.5191488778751707e+02 -3.3909986813212635e+02 -6.8138447286529720e+02
			46 -3.6974585651662977e+02 6.5877949821504194e+02 -1.2846140462208882e+02
			47 7.0999522650120099e+01 2.6787232844301741e+02 -2.6037434470741427e+01
			48 4.8457875917949451e+02 -1.6693867974736796e+02 -3.2653088508349691e+02
			49 1.0016330847216284e+02 1.7144939472474533e+01 1.2769410377207676e+02
			50 -2.5643045293874383e+02 4.8550578070475757e+02 1.7833571905770887e+02
			51 1.5929685733709441e+03 -1.5100179731534890e+03 1.3757557210338409e+03
			52 -3.9363155553927618e+02 2.9261413115276798e+02 -2.7081680938457316e+02
			53 -1.2156938822751686e+03 1.0481428026908065e+03 -1.7260661331518384e+03
			54 5.4545508362448210e+01 1.0309421723440155e+02 -6.1761185913629610e+01
			55 -2.0239005919386466e+02 1.8108787078448725e+02 -4.9048334046900078e+02
			56 2.0036614412052225e+02 -1.8905881350356012e+02 -1.3675071587645911e+02
			57 -1.7850227402751372e+02 -3.3738314148552627e+02 -1.4864701622354673e+02
			58 -2.5670676029812597e+02 -1.3336092440092364e+02 8.4345104538588089e+01
			59 -1.7898804840101980e+02 1.8142384187504891e+02 2.7914484812152023e+02
			60 -7.4398955008919714e+01 -6.8191485113974892e+01 5.7946912127557717e+01
			61 9.6097667682189197e+01 4.4562130970058109e+02 5.3555842003747642e+01
			62 3.3087710298162186e+01 1.3291451685900134e+02 -3.6140086918051345e+01
			63 -2.5660817878335301e+01 -3.1619388904758910e+02 5.0012563149825205e+01
			64 2.5890372243019073e+01 -6.0849122994338025e+01 7.5030153780264586e+00
			...

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