update test reference data for pair style ufm
This commit is contained in:
Axel Kohlmeyer
@ -1,6 +1,6 @@
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---
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lammps_version: 21 Jul 2020
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date_generated: Mon Aug 3 06:00:36 202
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date_generated: Mon Aug 3 07:56:59 202
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epsilon: 5e-14
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prerequisites: ! |
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atom full
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@ -25,69 +25,69 @@ natoms: 29
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init_vdwl: 15.9448178985075
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init_coul: 0
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init_stress: ! |2-
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2.6146863286957891e+00 3.3096167885357781e+00 1.8896692790686620e+00 -7.8103578168488674e-01 -6.3646037139141465e-01 -1.1050969820118191e+00
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1.9732282556036175e+01 1.9835191003877362e+01 2.7171236603180098e+01 -6.0276271530964340e+00 2.5967187784084929e+00 -8.1372045900773349e-01
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init_forces: ! |2
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1 -4.1107682568782042e-02 8.4159671159269589e-02 1.4364066878816075e-02
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2 1.4855194550175699e-09 1.1595834852760475e-09 3.0222642548520869e-10
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3 -8.4091235974453749e-01 8.6504468102758003e-01 5.6311502835738503e-01
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4 -2.8369162919057533e-06 2.3093358001197420e-06 -6.8629050475239722e-06
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5 2.8352737357564812e-06 -2.3104132057858338e-06 6.8626120453466700e-06
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6 6.8227906787574855e-01 -7.4225150779271154e-01 -5.7924092724791576e-01
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7 -1.0624422246648743e-02 -1.7713737837028117e-02 6.0685027629518388e-03
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8 4.1107682568782042e-02 -8.4159671159269589e-02 -1.4364066878816075e-02
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9 -8.4589231542866213e-09 -4.4870340991811177e-09 8.1470249958068988e-09
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10 -1.5076237946330699e+00 -1.4818713946413264e-01 -2.7001103229334023e-01
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11 -2.5234373282159868e-06 -4.9173823745521049e-06 2.4018562394577883e-06
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12 1.0688406659323306e+00 1.0218751924370559e+00 -7.3324647342325111e-01
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13 1.6247427935699038e-05 -1.1277029275365798e-05 5.4862483755923800e-06
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14 -1.6644232300571339e-05 -1.3550601437242502e-05 -4.2100576670980872e-05
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15 2.9288576529368216e-06 2.9749417943440398e-05 3.4204315806686696e-05
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16 5.9741642056952804e-01 -9.9648122620779178e-01 1.0193834046071222e+00
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17 6.0647800874562208e-05 -6.7138753522781464e-05 1.1587201951671083e-04
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18 1.0555874350003051e-02 1.7766239964206315e-02 -6.1513369271515989e-03
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19 -1.3385271294173110e-04 -1.1135668675472203e-04 -4.7773382101580517e-05
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20 1.4175280871286179e-04 1.2599331309930736e-04 1.4735526784629409e-05
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21 -3.2883236264640949e-314 -4.0183081710317287e-314 1.1784710987769653e-313
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22 -2.0070940223656638e-04 -9.2248259523763674e-05 -8.5507042438020091e-05
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23 2.0070940223656638e-04 9.2248259523763674e-05 8.5507042438020091e-05
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24 2.5296422778585082e-314 -1.0640178056368574e-313 6.1834993002757979e-314
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25 -1.4222865295220291e-04 -8.1775415336075356e-05 -7.8174976843060461e-05
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26 1.4222865295220291e-04 8.1775415336075356e-05 7.8174976843060475e-05
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27 1.7123386955271695e-314 -1.1695047946457333e-313 4.1453168286921200e-314
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28 -1.5089915815236302e-04 -4.4475887332562913e-05 -7.2311197921039549e-05
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29 1.5089915815236302e-04 4.4475887332562913e-05 7.2311197921039549e-05
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run_vdwl: 15.914861699973
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1 4.5504248628334903e-01 3.4810456499439786e+00 2.2933676689669587e+00
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2 7.6305168829957026e-01 6.3530317978445050e-01 -8.9036825876478831e-01
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3 -1.8690601375791762e+00 -2.1645243477399765e+00 -6.8190730045491799e-01
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4 -4.9060182878861497e-01 6.5876976602437076e-02 -3.5503868870755761e-01
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5 -2.0102869525213915e-01 -3.8949773372359570e-01 6.2535384203678079e-01
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6 -2.6274409039041418e+00 2.4336497785248898e+00 1.0369661611270873e+00
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7 -1.3560259995068289e+00 -1.2772656392333670e-01 -7.1023140339542641e+00
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8 -6.4025705488694629e-01 1.0679865652191836e-01 4.5451315353321204e+00
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9 2.9507058002930570e-01 3.4981430259329627e-01 1.3803472304944715e+00
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10 1.6374694484178089e+00 -3.0558458419429053e+00 -1.3354748713256701e+00
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11 -1.0758177441827732e-01 -3.4994788188976184e-01 -5.1197568645668567e-01
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12 2.5492171186156019e+00 6.5886771199024263e-01 -1.0862959541524593e+00
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13 4.7621167365961320e-01 -1.8587205385870362e-01 -1.0222940193228331e-02
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14 -1.7603608882946584e-01 4.3504499871130406e-02 -5.0281518244465484e-01
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15 4.5361490089936077e-02 5.1848034510437291e-01 1.5415051650370429e-01
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16 2.1328814585282205e+00 -2.1866672606821682e+00 -2.4060706185663778e+00
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17 -8.9999804484173351e-01 1.4743507307760853e-01 4.8534606303597769e+00
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18 1.2106041473247691e-02 1.8842262895887824e-02 -8.5584514737465592e-03
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19 -1.3385261603705734e-04 -1.1135664238248275e-04 -4.7773605824832037e-05
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20 1.4175280884626526e-04 1.2599331315280051e-04 1.4735526619335452e-05
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21 -3.0992491483280571e-01 -3.7873259082555194e-01 1.1107164955435957e+00
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22 -5.3868102728249767e-01 -1.3058785720297120e-01 -8.4490111696627568e-01
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23 8.4861881376462789e-01 5.0930289141035923e-01 -2.6583104815819147e-01
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24 2.3873703064906404e-01 -1.0027550706486636e+00 5.8324803300429706e-01
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25 -7.6174385767345199e-01 1.2255216806610444e-01 -6.4030765955815661e-01
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26 5.2462722077066415e-01 8.8068125955598875e-01 5.9367518146113858e-02
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27 1.6145714500530384e-01 -1.1022323446883984e+00 3.9068430664596004e-01
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28 -8.1023255837556163e-01 3.4809165087801702e-01 -5.4818142230389000e-01
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29 6.4875279039251865e-01 7.5412850363458084e-01 1.5750233339920508e-01
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run_vdwl: 15.8616853432207
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run_coul: 0
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run_stress: ! |2-
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2.5986029230420753e+00 3.2703803218300571e+00 1.8750476643208827e+00 -7.6811158158004422e-01 -6.4578984797982841e-01 -1.0961457953207117e+00
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1.9704622560525500e+01 1.9754158723084281e+01 2.6918293581501548e+01 -5.9193995790449732e+00 2.5978531689912998e+00 -6.8056943099087752e-01
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run_forces: ! |2
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1 -4.0285344683711741e-02 8.2721708589664378e-02 1.4050186122562973e-02
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2 8.2524533331550006e-10 6.5064964459978354e-10 1.7834995585782599e-10
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3 -8.3850322601506833e-01 8.6035681760410276e-01 5.5552529331530642e-01
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4 -2.3621080627757856e-06 1.8984773073055223e-06 -5.7817438681843766e-06
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5 2.3611663663774969e-06 -1.8990665800372113e-06 5.7815721165980424e-06
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6 6.8338309348494286e-01 -7.3951579325775574e-01 -5.7116539020312607e-01
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7 -1.0720959251302932e-02 -1.7896645856104468e-02 6.1253885515083562e-03
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8 4.0285344683711741e-02 -8.2721708589664378e-02 -1.4050186122562973e-02
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9 -1.2529030864834394e-08 -6.6015217820196229e-09 1.2066214019287245e-08
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10 -1.4925702810659471e+00 -1.5492229055449536e-01 -2.5424719548240826e-01
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11 -2.7825191632564174e-06 -5.3814455866493166e-06 2.6594982448938168e-06
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12 1.0652652212470886e+00 1.0107254838122148e+00 -7.3255807711309329e-01
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13 1.4554848679557421e-05 -1.0096970352400502e-05 4.2909309690308132e-06
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14 -1.2196220854745091e-05 -8.1371410886308519e-06 -3.3215932875268475e-05
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15 4.3653682037388778e-07 2.3622097172549777e-05 2.6253430848955018e-05
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16 5.8242519234898404e-01 -9.7664421760406650e-01 1.0024453694833211e+00
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17 5.9118312883491684e-05 -6.5197720063684263e-05 1.1296727313095274e-04
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18 1.0666806754866611e-02 1.7959806185223737e-02 -6.2089089533038464e-03
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19 -9.2155356734353660e-05 -7.6243764734605334e-05 -3.8917301718863713e-05
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20 8.7189540287183314e-05 7.8281155679022087e-05 9.4704303834019288e-06
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21 -3.3899956358599345e-314 -3.8120230525720721e-314 1.1774050158333511e-313
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22 -1.8226187218665669e-04 -8.2023784186295039e-05 -7.6389640896495654e-05
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23 1.8226187218665669e-04 8.2023784186295039e-05 7.6389640896495654e-05
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24 2.8143855119790067e-314 -1.0911129688595383e-313 6.4142652183265380e-314
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25 -1.6999302282135528e-04 -1.0050305244071937e-04 -9.5843764445722771e-05
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26 1.6999302282135528e-04 1.0050305244071937e-04 9.5843764445722784e-05
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27 1.9138245457764810e-314 -1.1871547879715288e-313 4.0053139644108828e-314
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28 -1.6222449740137501e-04 -4.8434776046882793e-05 -7.8562045851869852e-05
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29 1.6222449740137501e-04 4.8434776046882793e-05 7.8562045851869852e-05
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1 4.6903795102238893e-01 3.4471790043074155e+00 2.2640326341430215e+00
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2 7.6427680253286634e-01 6.4702697653716934e-01 -8.6215350378922051e-01
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3 -1.8902490585622824e+00 -2.1559409924348119e+00 -6.9086875111459189e-01
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4 -4.7430793207488930e-01 6.2813433399308227e-02 -3.5076010872032221e-01
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5 -1.9879364631586235e-01 -3.8501258616973499e-01 6.1824037742347249e-01
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6 -2.5716612036374440e+00 2.4177563896101719e+00 1.0062676333138174e+00
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7 -1.3347634312538770e+00 -1.4511347465531174e-01 -6.9675921787319837e+00
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8 -7.1498788348429509e-01 1.5391724346667593e-01 4.4685151545430370e+00
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9 2.9615072254263686e-01 3.3708016766855387e-01 1.3713681175110519e+00
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10 1.6655332876219688e+00 -3.0788062316905531e+00 -1.3504181585572872e+00
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11 -1.0306905364905536e-01 -3.3356589147782040e-01 -4.8759025549290741e-01
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12 2.5169000137107895e+00 6.4582882727212410e-01 -1.1056167824067793e+00
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13 4.7054556829988514e-01 -1.7465871278068992e-01 -8.8125330381007318e-03
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14 -1.7032572507595736e-01 3.5259835099716995e-02 -4.8334906008812817e-01
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15 4.2767520433916968e-02 5.2350958298539818e-01 1.6209825101785580e-01
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16 2.1143962306578636e+00 -2.1840227122816378e+00 -2.4240301278985545e+00
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17 -8.9533735300142869e-01 1.6722226177508540e-01 4.8470364684175822e+00
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18 1.2261297596017708e-02 1.9073134618042799e-02 -8.6622912414690278e-03
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19 -9.2155271780368733e-05 -7.6243732200517104e-05 -3.8917607684509680e-05
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20 8.7189700241686489e-05 7.8281328511723715e-05 9.4703340946688672e-06
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21 -3.1869976742612299e-01 -3.5843123331627225e-01 1.1070634590860970e+00
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22 -5.5867106087024820e-01 -1.4541411463906775e-01 -8.4593741645822229e-01
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23 8.7738409629915826e-01 5.0382698964562944e-01 -2.6114213167044648e-01
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24 2.6498504176502491e-01 -1.0258227472014936e+00 6.0360128434208293e-01
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25 -8.0774237261472659e-01 1.1152388846740779e-01 -6.8104225005845753e-01
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26 5.4439728655438058e-01 9.1478096833295830e-01 7.9776496092276342e-02
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27 1.7993245937868463e-01 -1.1162011028189709e+00 3.7656761514775627e-01
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28 -8.3013122622639413e-01 3.5173620238034337e-01 -5.5033868810132658e-01
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29 6.5017640134854016e-01 7.6445285630405291e-01 1.7377619360333854e-01
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...
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