Merge branch 'lammps:develop' into style-sdk-update
This commit is contained in:
Yusuke Miyazaki
@ -1,6 +1,6 @@
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---
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lammps_version: 17 Feb 2022
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date_generated: Fri Mar 18 22:17:29 2022
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lammps_version: 23 Jun 2022
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date_generated: Thu Jul 7 09:00:39 2022
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epsilon: 2e-13
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skip_tests:
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prerequisites: ! |
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@ -21,71 +21,71 @@ extract: ! |
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cut_coul 0
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natoms: 29
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init_vdwl: 0
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init_coul: 531.6959978948178
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init_coul: 254.5592842067175
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init_stress: ! |2-
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2.5972486027624825e+02 1.6017698793801901e+02 2.4137753464923463e+02 1.1278136362375312e+02 7.5965726957592040e+01 4.3719482306226765e-01
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1.1708139667614163e-01 -2.1626456898855512e+01 -1.2229635861086752e+01 1.1761975361937868e+01 -9.4490379133316071e-01 7.0303045871968024e+00
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init_forces: ! |2
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1 -1.4505459775863072e+01 -1.3044138972612792e+01 2.1164399702389403e+01
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2 1.7223357637414050e+01 1.1196601670721074e+01 -2.1963333681835362e+01
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3 1.9690750992824077e-01 8.4027350365370912e-01 3.2676598741321244e-01
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4 -4.1823205578686712e-01 -4.8034612329946474e-01 -6.2465767147804363e-01
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5 -8.1067146840659532e-01 -7.0419963313519196e-01 1.0662874339675656e-01
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6 -1.5369327833513578e+01 1.5524058497083976e+01 2.0805079862911210e+01
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7 2.5724194203247794e+00 -6.5060840392199450e+00 -2.5818209750744270e+01
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8 5.4989014023099685e+00 -1.3233615378795388e+01 -1.9749310147567481e+01
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9 6.7810825735410649e+00 2.9735670644350400e+00 2.9299979326310858e+01
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10 1.5690354534134865e+00 -3.8317369465722124e+00 -4.6200627486826261e-02
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11 -3.3949224827476737e-01 6.3351363413160511e-01 4.2844876717729496e-01
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12 3.5635170964422114e-01 -1.4508136789019890e+00 3.4423369459456787e+00
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13 3.1047049296276570e+00 -1.3699917700047379e+00 -1.9294387191193760e-01
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14 -1.8808718796901713e+00 4.5935276633752392e-01 -3.4319894559470154e+00
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15 5.0373263520628020e-01 3.2293151135885791e+00 1.4501551118828643e-01
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16 9.3153064058538995e+00 -7.2444035690649828e+00 -2.8031955215690214e+01
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17 -1.2854116750038774e+01 1.2711581809604329e+01 2.2641980278104416e+01
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18 -4.3096955761758995e+00 -1.9223912022853014e+01 7.9000623254438963e+01
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19 -3.6557250488749723e+01 -2.4008797712603496e+01 -4.6906379653253587e+01
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20 4.0430244682537058e+01 4.3367408075615103e+01 -3.0568173216213165e+01
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21 -2.2233648415360879e+01 -2.5175462230434459e+01 7.7556799814543822e+01
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22 -3.2896290497889161e+01 -7.4008238647922955e+00 -5.6779521143055455e+01
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23 5.4738206511131686e+01 3.2962897136082404e+01 -2.0302232663948129e+01
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24 1.6836507718223405e+01 -6.8988891903011790e+01 4.0189734824880482e+01
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25 -4.9788824311046007e+01 1.0298368296372720e+01 -4.2822722831087503e+01
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26 3.2480024672491567e+01 5.8484108401966807e+01 2.1410689331760921e+00
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27 1.0631780570743651e+01 -7.5812252190257794e+01 2.6785237094554518e+01
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28 -5.1807337133621779e+01 2.4969152478376095e+01 -3.5819948334944876e+01
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29 4.1532654602026298e+01 5.0825271587590592e+01 9.0234792187328665e+00
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1 1.0123638170253564e+00 -1.2509301778440569e+00 2.1945424754579066e+00
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2 1.2954585046924219e+00 -1.6338868361150480e+00 -3.0887376983421388e+00
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3 2.5466335168114949e-02 -1.3139527326988556e-02 3.5569205669245270e-02
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4 -1.2001437337468715e-01 -5.6411226640158199e-02 -2.7885583471425601e-01
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5 -5.1442751513887475e-01 3.3619784208637826e-01 -5.8612509036156044e-02
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6 2.0722678070474260e-01 -2.0158659756241346e+00 1.2290591371946380e-01
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7 1.2567425258842402e-01 1.6224546679223717e-01 1.2761543372504829e+00
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8 -1.0885715086892622e+00 2.7631213623524755e+00 -1.1767360015218493e-01
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9 1.4894653246735305e+00 -3.7617960133817596e+00 3.1053923325311867e+00
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10 -7.1355785210118067e-02 3.1060808027765684e-02 -1.9612261171752393e-01
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11 -6.7234571380736030e-01 7.7973238090172237e-01 -4.0949779264856478e-01
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12 2.3138844234286426e+00 -4.3745924070374187e-01 1.4448078371866295e+00
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13 1.4660368459556450e-01 -1.5128217536790745e-01 -1.4303100577311031e-01
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14 -8.0170764963523022e-01 2.5412749138723761e-01 -3.4566627523769955e-01
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15 3.3139749151276299e-01 7.0760705097098225e-02 -7.8854914191841807e-01
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16 1.6259331841614227e-01 -9.7505266997933193e-01 -1.0324909305416741e+00
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17 -2.8980837212603436e+00 5.6015117342873459e+00 -3.2180999995572175e+00
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18 -1.9982604761757349e-02 2.3277591984645070e+00 5.7125759352746586e-01
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19 -9.3976757841446423e-01 -2.1798221084742129e+00 4.9912918497113157e-01
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20 5.2304880078763782e-01 -1.3238749831696685e-02 4.5568360647359851e-01
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21 -4.8423714829029962e-01 1.3829719239752545e+00 -2.9605371449607998e-01
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22 -5.7875171427304151e-01 -7.4682110680773817e-01 1.1868729457280150e-01
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23 6.7125646044497977e-01 -2.4953977631185778e-01 6.5241242746355066e-01
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24 2.4761790219940844e-01 1.3513641756258139e+00 -5.1709840925954764e-01
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25 -1.1849995949271324e+00 -1.0312698215846192e+00 -5.7625135838985497e-01
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26 4.6508977239668642e-01 -5.2650955871347083e-01 6.0143069461846999e-01
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27 -7.4501807019330935e-01 1.4539167477546999e+00 -6.3344271356143678e-01
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28 -2.3479546881246116e-01 -1.0024440823389091e+00 1.1214449785783520e-01
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29 1.3369115781539251e+00 -4.6930078970690337e-01 5.1006619404609643e-01
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run_vdwl: 0
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run_coul: 531.6316938435255
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run_coul: 254.55391272325517
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run_stress: ! |2-
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2.6009236274938775e+02 1.6019149935649892e+02 2.4091972549720990e+02 1.1287278205291214e+02 7.6421249875941328e+01 1.0477154416076908e+00
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1.0507664945308685e-01 -2.1621055562665443e+01 -1.2221091005466242e+01 1.1755690602099170e+01 -9.5887133975896877e-01 7.0291169104254232e+00
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run_forces: ! |2
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1 -1.4505263340624662e+01 -1.3069826884538898e+01 2.1092273240232334e+01
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2 1.7216929699569594e+01 1.1222653354918181e+01 -2.1892026658892760e+01
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3 1.9689659133582163e-01 8.4089709839905469e-01 3.2691229507601138e-01
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4 -4.1534123724459276e-01 -4.7942040205303499e-01 -6.2372283685814967e-01
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5 -8.0983629907930077e-01 -7.0364522896705939e-01 1.0613059784230094e-01
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6 -1.5349604856791370e+01 1.5522546924799940e+01 2.0756281297832874e+01
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7 2.5720205395173057e+00 -6.5136694191526150e+00 -2.5754699982146299e+01
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8 5.4783011177980798e+00 -1.3193790377127209e+01 -1.9732158944509290e+01
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9 6.7823956616450456e+00 2.9328643102381267e+00 2.9267293877977238e+01
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10 1.5701490834675309e+00 -3.8293776378819531e+00 -4.4681502716367193e-02
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11 -3.4080685500280089e-01 6.3394138301719993e-01 4.2521300521638838e-01
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12 3.6335920149821210e-01 -1.4542882227067147e+00 3.4250588402471536e+00
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13 3.1021896119350991e+00 -1.3629775427304498e+00 -1.9236601260012270e-01
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14 -1.8791529231416744e+00 4.5416896729772194e-01 -3.4214086468019449e+00
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15 4.9947705909602841e-01 3.2294681516348525e+00 1.5065456540899641e-01
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16 9.3152895494380115e+00 -7.2584606007912740e+00 -2.8037105174417249e+01
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17 -1.2853807315028448e+01 1.2730457404190695e+01 2.2646649542757135e+01
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19 -3.6657681210304887e+01 -2.4147367233205287e+01 -4.6880920994817359e+01
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22 -3.2986424583514150e+01 -7.4943575521934962e+00 -5.6719145374965272e+01
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23 5.4861504180702049e+01 3.2888028352139067e+01 -2.0245497429195499e+01
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24 1.6994333620812245e+01 -6.9071608975734406e+01 4.0281992417369800e+01
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25 -5.0022578934028282e+01 1.0236526699813956e+01 -4.3029340089682030e+01
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26 3.2556772729625038e+01 5.8630191330865074e+01 2.2575959885742858e+00
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27 1.0740675179027832e+01 -7.5810812405906574e+01 2.6655288241835144e+01
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28 -5.1859214575097845e+01 2.4967730720910470e+01 -3.5779461664571272e+01
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29 4.1474926685469335e+01 5.0824886566985427e+01 9.1126959066595141e+00
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1 1.0112873572811580e+00 -1.2530276549384933e+00 2.1914171798830568e+00
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2 1.2910756618724584e+00 -1.6320587244040410e+00 -3.0856670933130275e+00
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3 2.5417581409305202e-02 -1.3319027044403169e-02 3.5458204071365587e-02
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4 -1.1903572341057568e-01 -5.6295979790903755e-02 -2.7900490837896463e-01
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5 -5.1384628561765300e-01 3.3652540945011555e-01 -5.8862099577371089e-02
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6 2.0557510022365150e-01 -2.0123835505068053e+00 1.2614266602622692e-01
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7 1.2735793319460478e-01 1.5853467760283904e-01 1.2701822406914272e+00
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8 -1.0845932144371644e+00 2.7620784785572590e+00 -1.1812899137169540e-01
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9 1.4885988571079642e+00 -3.7664983214134815e+00 3.1092838634072559e+00
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10 -7.1576372143287825e-02 3.0962708284801813e-02 -1.9638669006856277e-01
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11 -6.7233593581762241e-01 7.8020791757188945e-01 -4.0861239677017752e-01
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12 2.3142942085570231e+00 -4.3672211901097824e-01 1.4445175637184764e+00
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13 1.4585640919457624e-01 -1.5151491185814414e-01 -1.4301903387021225e-01
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14 -8.0211823601348731e-01 2.5440367515238671e-01 -3.4418722798600709e-01
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15 3.3243392757719303e-01 6.9345316666666712e-02 -7.8979319762464939e-01
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16 1.6228153766652689e-01 -9.7649864654379481e-01 -1.0325498581820041e+00
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17 -2.8985741606086464e+00 5.6081200657787251e+00 -3.2210360520327095e+00
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18 -2.4779821561789064e-02 2.3252812699411116e+00 5.7548476355559375e-01
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19 -9.3073282073812136e-01 -2.1761428427184564e+00 5.0466585562048227e-01
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20 5.1962859124254412e-01 -1.3823144408831962e-02 4.4616022167444958e-01
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21 -4.8279265992792930e-01 1.3791791897341579e+00 -2.9615403241565003e-01
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22 -5.7432971719583037e-01 -7.4279690320955927e-01 1.2017370691438947e-01
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23 6.6583750391632179e-01 -2.5085912738116967e-01 6.5043205083268785e-01
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24 2.4365888962669718e-01 1.3544800679852296e+00 -5.2159886075913586e-01
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25 -1.1794061912936245e+00 -1.0316188106119735e+00 -5.6975657126355306e-01
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26 4.6484502577860515e-01 -5.2739147192840230e-01 6.0227258976224862e-01
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27 -7.4688344945317542e-01 1.4562803511493001e+00 -6.3143583726328756e-01
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28 -2.3319583763082030e-01 -1.0037908986220945e+00 1.1105104982326264e-01
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29 1.3360518412010989e+00 -4.7065699348295009e-01 5.0895089489608403e-01
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...
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Reference in New Issue
Block a user