add unit conversion test files for styles with conversion in the compute function

---

lammps_version: 5 May 2020

date_generated: Fri May 15 23:19:20 202

epsilon: 5.0e-12

lammps_version: 15 Jun 2020

date_generated: Thu Jun 25 12:25:55 202

epsilon: 5e-12

prerequisites: ! |

  pair eam

pre_commands: ! |

input_file: in.metal

pair_style: eam

pair_coeff: ! |

  1 1 Ni_u3.eam

  1 1 Al_jnp.eam

  2 2 Cu_u3.eam

extract: ! ""

natoms: 32

init_vdwl: -119.530487743563

init_vdwl: -368.582927487109

init_coul: 0

init_stress: ! |2-

   4.8826272345202817e+01  4.5850488601145123e+01  4.1343857791628459e+01  4.4988644962998467e+00 -4.9951074981736998e-01 -2.1768789288131187e+00

init_stress: ! |-

  -3.9250135569982547e+02 -4.6446788990491922e+02 -4.1339651642483534e+02  1.9400736722937047e+01  1.1111963280257109e+00  1.2102392154667630e+01

init_forces: ! |2

   29  8.0800296830781970e-01  2.3879075266467829e+00 -8.3048670580586403e-02

    4  2.7343534029869865e-01 -2.9878342106756367e-01 -1.2265223367116376e+00

    8 -1.4720323385487724e+00 -1.4228179264986509e+00  9.6490960676696425e-01

   13 -6.5176153773352563e-01  8.5767931224231297e-01 -1.0911744305807993e+00

   15 -7.3903169091302345e-01  7.5680244318270884e-01 -7.2708235694598555e-01

    3 -8.8972662160783789e-01  3.8990091972163423e+00 -1.0661156728781842e+00

   10 -7.8846939852443865e-01 -3.8705457047816734e+00 -2.4629929283458956e+00

   11 -9.8435494678902746e-01 -7.0900821618683274e-01  8.7706624584090875e-01

   16  2.4583295121993398e+00 -2.1972676866087717e+00  8.3284121924556553e-01

   21  4.0030874815543029e+00  1.0711165397007254e+00  2.4473954375123813e-01

   26 -1.3811106600228646e+00 -3.5588639228797661e+00  2.8632910127148117e+00

    7 -1.6363024522676575e+00  2.1007504896592857e+00 -3.9914508545625160e-01

    9  5.7947847523538809e-01 -1.0536323905325453e+00 -6.4053794186990365e-01

   12  1.1287163019780053e+00 -2.0776211837684415e+00 -2.0233323652665197e-01

    2 -4.1490810252266974e-01 -1.6223974813453232e+00  9.8899266934997998e-01

   18 -2.9490223023424624e+00 -6.7264893552133265e-01 -1.3875167298795910e+00

   19 -3.1847050581559415e+00 -1.8169235559519932e+00  8.0598800871995424e-01

   24  2.6007360409657871e+00  1.8259122746264185e+00  1.8348671705526824e+00

    6  9.3578152728737196e-01  4.2423394202927650e-01 -1.1063087875863249e-01

   20  4.8971016839265114e-01  3.9218805807784085e-01 -7.3184770760670148e-01

   22  1.8086294180444197e-02 -2.0048898956069334e+00 -2.5326361122481866e-01

   25  1.5827181697200143e+00  3.6148366642417934e-01 -1.0499794196925945e+00

    5  1.7730142843252130e+00  3.4084808701534719e+00  7.4953511407886242e-01

   27  1.1415770912387406e+00  3.1938755741801723e-02  1.8323119673595856e-01

   28  1.1504782845312334e-01  1.3053527012833483e+00  1.6722391212961463e+00

    1 -6.4076239230307086e-03  1.4271865784071405e+00  5.0439174022242561e-01

   14  1.2901780857744278e+00 -2.0966095595276873e-01  1.5801785995295483e+00

   17  9.9925856969280202e-01  2.8118162051561075e+00 -1.7641749946493385e-01

   23  1.0999852359764739e+00  2.9307377042640232e+00 -1.8605350165432875e+00

   30 -9.9030220835307969e-01 -5.9609338894221275e-01 -1.8459334541555570e+00

   31 -3.9990682938968608e-01 -2.4015626569287210e+00  1.6801191688208930e+00

   32 -4.8091016044865871e+00 -1.4798789422382359e+00 -4.6731344040392714e-01

run_vdwl: -119.870792403123

    1  3.8702196239123237e+00  3.2087381358567679e+00 -3.2785146725168746e+00

    2  1.5399659055502801e+00  5.3765327929110125e+00  1.5740005508928423e+00

    3  9.6731722224674677e-01 -1.3144867798433710e+01 -9.0231732944261689e-01

    4 -2.5073370343027146e+00 -5.2079180074533618e+00 -5.8913203171674402e+00

    5 -2.8515169765266575e+00  7.6648779774003719e+00 -1.6135262802376316e+00

    6  2.0428463056677254e-01  5.1885731021366555e+00 -5.9322347514392992e-01

    7 -9.7176119399525651e-01  3.5285494740740462e+00  3.2284411698905560e+00

    8  7.5364432092290201e-01 -5.2936287201396057e+00 -6.2408220629962896e+00

    9 -5.8493861425957814e+00 -3.7463543270548563e+00 -3.9409131835960420e+00

   10 -1.8023712766215385e+00  3.7006913245199451e+00 -3.8897352514951287e+00

   11  3.5323555367973203e-01 -1.1327469434419406e+01  6.7182457803171030e+00

   12 -4.4655507115633153e+00 -4.1270694194866087e+00  4.6918435871989708e+00

   13  4.4725135751254337e+00 -3.8312677334791485e+00 -2.6917694312049267e-01

   14 -2.7336352778320090e+00  7.7812926164057377e+00  2.4973630791939097e+00

   15  1.8398608400295208e-01  5.9059792700196434e+00 -9.9161720399808750e+00

   16  5.8469261701364097e+00 -2.2571985010582432e+00  2.9857327422767823e+00

   17  2.7560211432940238e+00  4.9207971970570350e+00  2.9070576476805532e+00

   18 -1.4813870095597501e+00 -1.7378482556644488e+00 -1.6058192501275290e+00

   19  1.4804205290003427e+00 -1.2245161773643600e+01  4.9726493930925530e-01

   20 -3.6615637886242993e+00 -4.8732204205525411e+00  5.2596344008240576e+00

   21 -1.3508123203296574e+00  1.0609703405450992e+01  2.7016894640855278e+00

   22 -3.5308456248307213e-01 -1.2267881896396968e+01  3.8041687814180614e-01

   23  2.1268575998905277e+00 -9.8195553504983524e-01 -5.0711605404266065e+00

   24  6.0440647757301482e+00 -3.8588578230300516e+00  7.2719736140423983e+00

   25  8.4455109296650068e+00  7.0624962219255796e+00 -3.1806612774968732e+00

   26 -3.0905548748191465e+00 -7.7229205387362132e-01  5.3313905785014661e+00

   27 -2.9657410879726704e+00 -8.6651631017774271e+00 -6.7853125584804292e+00

   28  4.9373045778342588e+00  6.6292206752376668e+00  4.6463544925063864e+00

   29 -6.7596568116029587e+00  1.1854971416292608e+01 -3.1889511538178256e-01

   30 -3.1599376372205530e+00  1.2411259590817497e+01 -3.3705452712364457e+00

   31 -4.7553805255326909e+00  2.0807423151380857e+00  9.7968713347921295e+00

   32  4.7774045900242150e+00 -3.5862707137302143e+00 -3.6201646908067486e+00

run_vdwl: -373.391968845895

run_coul: 0

run_stress: ! |2-

   4.7751995066352151e+01  4.4830156042194794e+01  4.0389886435910626e+01  4.2184912902327492e+00 -5.6543256799494823e-01 -2.0752485517795161e+00

run_stress: ! |-

  -3.9486584521928387e+02 -4.6496789731502832e+02 -4.1710147439166667e+02  1.8213412417226081e+01  7.6724894655338038e-01  1.2094096020348012e+01

run_forces: ! |2

   29  7.5690592801898815e-01  2.3151863977187501e+00 -5.6022314357905889e-02

    4  2.6331390998279414e-01 -2.7131757020660047e-01 -1.2171723766818878e+00

    8 -1.4819123498210278e+00 -1.3892127647468901e+00  9.4351114037722761e-01

   13 -6.7030752430639429e-01  8.1027363373017303e-01 -1.0419798308062822e+00

   15 -7.2914425790656268e-01  7.3381515730032987e-01 -7.0649536261355972e-01

    3 -8.2862609949331145e-01  3.6488186893647363e+00 -1.0624581553334507e+00

   10 -6.1483994156789068e-01 -3.7021751622708732e+00 -2.3234131680128005e+00

   11 -9.5907408526990645e-01 -7.3338326161574841e-01  8.4459514391866075e-01

   16  2.2537479937597746e+00 -2.1115143339299585e+00  7.8862148815663591e-01

   21  3.8499378367182593e+00  9.5004430642537196e-01  2.6813205101176563e-01

   26 -1.2549911173346853e+00 -3.3303513611819771e+00  2.7419485545991917e+00

    7 -1.5803819585422452e+00  2.0775725635516813e+00 -4.1643485965418925e-01

    9  5.9616913379864100e-01 -1.0900041633317910e+00 -6.6263113823586650e-01

   12  1.1188274327648378e+00 -1.9856343707557884e+00 -1.8931698797528046e-01

    2 -4.1672554481721213e-01 -1.6030271664710254e+00  9.7652355703236493e-01

   18 -2.8528759296970057e+00 -6.4627753964043022e-01 -1.3476345322887988e+00

   19 -3.0612708341260451e+00 -1.7499039144402915e+00  7.5685549599560620e-01

   24  2.4838924866176000e+00  1.7760409543710471e+00  1.7927340588029941e+00

    6  9.3519811444520051e-01  4.3790210252755352e-01 -1.1115261874946925e-01

   20  4.7860017665455917e-01  4.0873358602741239e-01 -7.2787329983734494e-01

   22  4.5683760799552345e-02 -1.9499040012633670e+00 -2.4911444772283134e-01

   25  1.5498059277046197e+00  3.7493980878195188e-01 -1.0267705215988105e+00

    5  1.6772659871839077e+00  3.2412248124601644e+00  7.8861775101712162e-01

   27  1.1181252050394743e+00  2.1210906682851027e-02  1.5259049481566841e-01

   28  8.6158085875367885e-02  1.2958084369079632e+00  1.6341119769792032e+00

    1 -6.8020837225162042e-02  1.3929213106632692e+00  4.9572035003963544e-01

   14  1.2851416793310484e+00 -1.0078910089733506e-01  1.4693455274495928e+00

   17  9.8653851440129303e-01  2.7301368714775602e+00 -1.8133160965911002e-01

   23  1.0757192308685777e+00  2.8092242654474213e+00 -1.7775969588994822e+00

   30 -9.5705266545383005e-01 -5.7810207051480700e-01 -1.7663162149693394e+00

   31 -4.2417243253557779e-01 -2.3534705046561171e+00  1.6411799159456588e+00

   32 -4.6616358258676422e+00 -1.4287865175152361e+00 -4.3077310874491803e-01

    1  3.6065103849698468e+00  3.3850045614133313e+00 -3.2099404138931509e+00

    2  1.5272319527263032e+00  5.1159618338839312e+00  1.4386822600144664e+00

    3  8.8889124738965819e-01 -1.2549265126891074e+01 -7.6286300397645501e-01

    4 -2.5149887025851170e+00 -5.1630477798481431e+00 -5.7927560583461730e+00

    5 -2.7577319227243340e+00  7.7337372091606680e+00 -1.6161053768722711e+00

    6  2.9829137219780122e-01  4.9518159754562241e+00 -6.3319133869634869e-01

    7 -8.7309179105028933e-01  3.7242971801706921e+00  3.1667500872407377e+00

    8  7.4988511941705449e-01 -5.2345536588071093e+00 -6.0694489025295839e+00

    9 -5.6748652076461674e+00 -3.6155005353015062e+00 -3.8960205269343655e+00

   10 -1.6985487726687425e+00  3.3586465595352220e+00 -3.9313302972889002e+00

   11  3.0645290480830667e-01 -1.1180223984570517e+01  6.5832137421124841e+00

   12 -4.4891921700259347e+00 -4.1479969157235592e+00  4.6314455848790201e+00

   13  4.3217028924633345e+00 -3.6856204342214225e+00 -3.0397864454481671e-01

   14 -2.5849914165064707e+00  7.5606403552491512e+00  2.3174690493053731e+00

   15  1.1796272962339260e-01  5.7288100295841362e+00 -9.7607016326972875e+00

   16  5.7880766878601184e+00 -2.4198072924490344e+00  3.0510124864170507e+00

   17  2.6948634470285198e+00  4.9491285704784493e+00  2.8470505948516216e+00

   18 -1.3885896269097586e+00 -1.7319937370042313e+00 -1.4698594584039826e+00

   19  1.3993184597149559e+00 -1.1797240539240345e+01  4.4955145029402199e-01

   20 -3.6118153030811628e+00 -4.8252169436385737e+00  5.1301467326003083e+00

   21 -1.3245618504864409e+00  1.0413638773882035e+01  2.6136063969881485e+00

   22 -3.6531531607881618e-01 -1.2221686471408907e+01  3.4297492050272915e-01

   23  2.1591154306811964e+00 -8.2020156536698485e-01 -4.8505116467228593e+00

   24  5.8317944566991562e+00 -3.8285931693697965e+00  7.1438153964941415e+00

   25  8.3117675961796262e+00  7.0110643410721547e+00 -3.1321086296777607e+00

   26 -2.9593072762047514e+00 -7.3717349777411822e-01  5.3317823136164311e+00

   27 -2.8851089719214054e+00 -8.5425149524249182e+00 -6.6688154620289835e+00

   28  4.7313345552457529e+00  6.4894520960745865e+00  4.4358188230989617e+00

   29 -6.6981970679986764e+00  1.1511660045027716e+01 -2.4612864290481729e-01

   30 -2.9580050013088863e+00  1.2189750141569847e+01 -3.2455167441500565e+00

   31 -4.5434783129378946e+00  1.9394948274115587e+00  9.6218495408600599e+00

   32  4.5945894731298162e+00 -3.5624658959294715e+00 -3.5158925996077341e+00

...

---

lammps_version: 15 Jun 2020

date_generated: Thu Jun 25 11:40:47 202

epsilon: 5e-12

prerequisites: ! |

  pair eam/alloy

pre_commands: ! |

  variable units index real

post_commands: ! ""

input_file: in.metal

pair_style: eam/alloy

pair_coeff: ! |

  * * CuNi.eam.alloy Cu Ni

extract: ! ""

natoms: 32

init_vdwl: -2737.69103243003

init_coul: 0

init_stress: ! |2-

   1.1764167914492630e+03  1.1205980824873152e+03  1.0864455580994877e+03  8.1647231129875934e+01 -2.5037139879631205e+01 -6.3600641311729632e+01

init_forces: ! |2

    1  5.2672451511791571e+00  2.9722735284353401e+01  1.1075184641021506e+01

    2 -1.0636773406463684e+01 -4.4073764067943728e+01  2.0771028937481248e+01

    3 -2.2965537069495454e+01  9.7562921273648755e+01 -2.4642335703402438e+01

    4  7.4656490760559127e+00 -5.4658324632906563e-01 -2.4960279603333927e+01

    5  3.1230848773422942e+01  6.4617845424874886e+01  2.1933694652888928e+01

    6  2.1832213719963605e+01  1.1143486075604935e+01 -3.4239959293183455e+00

    7 -2.9357107589496898e+01  4.2158182777227005e+01 -8.5586094830391737e+00

    8 -3.6073223340439661e+01 -2.4215275768396296e+01  2.9725386697629890e+01

    9  1.4987399784928266e+01 -2.7061834122202470e+01 -1.3299771204450476e+01

   10 -1.2413956598774377e+01 -7.6775514871436584e+01 -5.4742781546994578e+01

   11 -2.1067380701478477e+01 -1.6615953683959319e+01  1.8476258567375464e+01

   12  1.9461184824514678e+01 -3.8109085731939743e+01 -5.3661246617685698e+00

   13 -1.4482196622742837e+01  1.5568716854391997e+01 -2.4158915065964425e+01

   14  3.2825757431900875e+01 -1.1627824476982159e+01  3.5262711606238248e+01

   15 -1.8746762621101752e+01  8.1538251436098452e+00 -1.0644311994127357e+01

   16  4.8624977409645190e+01 -4.4113270120576303e+01  1.8303261804100114e+01

   17  2.2698244093478909e+01  6.6392356130851752e+01 -7.1977884622409611e+00

   18 -6.7980771356824789e+01 -1.4937345732539860e+01 -3.2011413553574002e+01

   19 -7.8000063810705043e+01 -3.3213815725148109e+01  2.0380659433340828e+01

   20  1.3799086550197625e+01  1.3483094603013749e+01 -2.1521630948739766e+01

   21  8.5316643556023976e+01  1.4311382265670481e+01  1.3218228731927237e+00

   22  3.1576126714640402e+00 -3.4015985036776200e+01 -8.2959114388958923e+00

   23  1.9744512575830672e+01  6.1755929602595728e+01 -3.8176255063513352e+01

   24  5.2798113388347907e+01  4.7195292661174186e+01  3.7832549147780398e+01

   25  2.7490207016385277e+01  1.5425133021820687e+00 -2.2503456988828329e+01

   26 -2.1990208289852045e+01 -7.4941647823295114e+01  6.1475112414163846e+01

   27  2.5616643621116541e+01 -2.0334701161446000e+00  2.8572235129465353e+00

   28 -4.7832347888405167e+00  2.6723575502863220e+01  3.5294244672040442e+01

   29  2.6981880708270644e+01  4.4677369269953125e+01 -9.1942728940884999e-01

   30 -1.7901630000432533e+01 -2.7359294215609250e+01 -3.9336329099287354e+01

   31 -1.2722584214735921e+00 -5.4089290760926374e+01  3.1561919199814422e+01

   32 -1.0162711573460452e+02 -2.1279270671809893e+01 -6.5117201231268016e+00

run_vdwl: 13786.8231164129

run_coul: 0

run_stress: ! |2-

   1.5453045758769309e+04  1.4324564159674526e+04  2.0339719265203345e+04 -4.3703985097767185e+02 -2.4828700331963573e+03  2.6371860977250676e+03

run_forces: ! |2

    1 -4.1235070358044659e+03 -1.6712537087260623e+02  1.0285277274671844e+02

    2 -1.7134569288200260e+03  5.6109874495911663e+02  1.5833880163322256e+03

    3  7.0660491674313107e+02  1.9980947258587582e+02  3.5478310177110990e+02

    4 -1.5805950092619389e+02 -6.3394860464940950e+02 -8.2522020103607213e+02

    5  3.9405888405680394e+03 -3.4696561240376559e+03 -1.8565396295835055e+03

    6  4.1907332132232949e+02  4.0962894944175537e+02  1.0986647025780044e+03

    7 -9.6645970600745068e+02 -3.5911787935573295e+02 -2.2384719111997448e+01

    8  1.0265438581270025e+03  2.0808489842263230e+03  2.0164534268299593e+02

    9  1.1337966507234397e+02 -5.0396233184209956e+02  3.8179698908837855e+02

   10  1.2342073717320160e+02  9.5758334207234370e+01  6.8799216904595795e+01

   11 -1.5320242612327118e+02  7.0895437874334675e+01  2.8604566716136226e+00

   12  8.6000100331177282e+02 -1.3442535831934245e+02 -6.4193775682228159e+02

   13 -2.4471242994052943e+02 -5.4264102607261088e+02  5.7696771921238769e+02

   14 -3.9018569969952148e+02  3.0656573620303129e+03  1.5177932576921341e+02

   15 -4.7634536416264723e+02 -1.2625516023855293e+03 -1.7806430239510228e+03

   16 -2.8401490184979775e+03  1.5282109260061861e+03 -2.2214870113522261e+03

   17 -1.2156159328353674e+03 -4.3257815608068495e+02 -2.1345521131783940e+02

   18  3.0311750850899062e+02  3.4429089555337708e+02 -7.3709708806569222e+02

   19  1.2045122218993047e+03 -9.7593750646130388e+02  5.4415371253339413e+02

   20 -1.1696081099779099e+02 -8.3225560965709064e+01 -7.0457470193504179e+01

   21  2.0598989260724796e+01  2.2356469079280821e+01 -7.9554177550795458e+01

   22 -2.9312564165082662e+01 -5.9822361803205673e+01 -8.0777528003415412e+01

   23  1.1532179753142320e+02  7.6103559438211744e+02 -5.6029347839975208e+02

   24 -1.3770034997569367e+03 -2.7507426940749701e+02  3.3464942960699559e+03

   25  5.1243904877931982e+02 -2.7117746030264681e+02  3.9984232018060953e+02

   26  1.0172211816330174e+03 -9.5258495026629555e+02 -3.7013789400208352e+03

   27 -9.3684148116059225e+02  4.9006556088962600e+02  4.5089073710681248e+02

   28  2.6547988549156657e+03  5.0325157403920872e+02  5.1846329264498263e+03

   29  1.3361686744155916e+03  2.5910193784510094e-01  1.0501345350932172e+03

   30  4.1083282961451692e+02  6.3716214702023012e+02 -3.1059177937091031e+03

   31  2.2436377537176742e+02 -5.0079917535823097e+02  6.8158392999295370e+02

   32 -2.4717482535028790e+02 -1.4570181605226207e+02 -2.8412607206596493e+02

...

---

lammps_version: 15 Jun 2020

date_generated: Thu Jun 25 12:21:28 202

epsilon: 5e-12

prerequisites: ! |

  pair eam/cd

pre_commands: ! |

  variable units index real

post_commands: ! |

  change_box all x final 0 10 y final 0 10 z final 0 10

input_file: in.metal

pair_style: eam/cd

pair_coeff: ! |

  * * FeCr.cdeam Fe Cr

extract: ! ""

natoms: 32

init_vdwl: -1785.33573859861

init_coul: 0

init_stress: ! |2-

   6.8043301174260876e+02  6.7297960563392814e+02  5.1465006825794148e+02  1.8121853680468470e+02 -2.1539743820875277e+01  1.9524563154150002e+01

init_forces: ! |2

    8 -5.7350284149736330e+00 -3.5278567560874443e+01 -1.2945450320412640e+01

   11 -1.8097851375140980e+01 -1.4526564839672064e+01  1.4745586739826204e+00

   13  1.1989580066352726e+01  1.5624364891747614e+01 -9.7439139691504693e+00

   18 -9.0623448888490387e+01 -3.6012980670112576e+01 -4.4206358603666501e+01

   29  3.4315696679076396e+01  8.0626370079553396e+01 -8.5024543289521013e+00

    4  9.8106599747869279e+00 -2.2423551582736319e+01 -2.2394700365570433e+01

    9 -9.7103731975162759e+00 -6.9064607099456907e+00 -2.1661283927309154e+00

   15 -1.7792920650089904e+01  3.5590552950399349e+01 -2.5723318396813070e+01

   22 -6.5675672460426817e+00 -4.7649450274483343e+01  1.9724013269226797e+00

   25  5.9273822696594969e+01  3.4630131644831422e+01 -2.9728016814693259e+00

    3 -2.1730644235859216e+01  2.5556005146055760e+01 -1.3958230488587253e+01

   10 -6.4920942773011525e+00 -2.5683534959193071e+00 -1.6573064725960148e+01

   16  5.4866106162193233e+01 -2.6559412741295208e+01 -1.9741676495696840e+01

   21  3.5877005997488183e+01  4.1948795376443414e+01  2.6549358660122181e+01

   26 -3.5041054144369639e+01 -3.8690624501419450e+01  2.3990991622027806e+01

    7 -2.5368323752592307e+01  2.9810504132179005e+01 -1.2638531317689136e+01

   12  3.6951069676947391e+01 -2.1917541992302780e+01 -1.3427277677717386e+01

   17  1.0715624362333520e+01  4.5671651640195430e+00  2.1824770610295943e+01

   30 -1.1158262405265202e+01  1.5645450981202710e+01 -1.6793195768739118e+01

    2 -2.1575934430935404e+00 -4.8375617933444817e+00  1.1868004064203934e+01

   19 -5.6881035489194680e+01 -7.2486978424463430e+01  8.5346400279857910e+00

   24  1.0635249022606750e+02  4.8261805685831284e+01  5.3930408354404207e+01

   27  4.5450128358509145e+00  8.5625984164019862e+00  1.8060331715182323e+00

    6 -1.2960045695800067e+01  1.4917602053254301e+01 -1.1634623653328422e+01

   20  1.2523060387802282e+01 -1.1092095621988207e+01  7.3361549932762884e+00

   31 -1.9746718194509807e+01 -3.1423401701143170e+01  5.6625794900274066e+01

    5 -1.7188199887454910e+01  1.3020595354000861e+01  1.1713947051591163e+01

   28 -8.4196479821809760e+00  5.9390977389997683e+00  2.9015171484291682e+00

   32 -6.0270099286642754e+01 -3.5352975667083264e+01 -1.5579017839725660e+01

    1  8.7363936089740726e+00 -4.0061891709817560e-01 -5.2750678284796697e+00

   14  1.1426402460118702e+01 -9.4966708566730240e+00  3.1977067658210842e+01

   23  2.8557983431931344e+01  4.2922771735634534e+01 -8.2298364085558333e+00

run_vdwl: 2931.52455331078

run_coul: 0

run_stress: ! |2-

   9.6470753360704439e+03  6.5655870202735778e+03  5.9189398052270180e+03 -1.6497484634929842e+03 -2.2009650113659050e+03  3.4511527287383035e+02

run_forces: ! |2

    8  9.3219728704606496e+02  1.1754507777665833e+03  5.4842925965041331e+01

   11 -8.7536724592016128e+01  6.3538302245818016e+01 -1.2855191800452761e+01

   13 -8.9465463856762298e+01  1.6068996122273487e+02 -1.5179241087127008e+02

   18  1.1324869619498050e+02  2.2922730461361110e+02 -5.8958250201758540e+02

   29 -6.2287735312568373e+02 -9.2410100867253433e+01  6.4962518201969613e+02

    4 -1.2292654776890547e+01 -1.9801605231904237e+01  6.8703838211237898e+00

    9  2.2560510072525094e+03 -3.3819889216677202e+03 -6.0036856190769322e+02

   15 -2.9980021108770069e+02 -9.6067965595592614e+02 -1.0297066649400588e+03

   22  8.5296077775941122e+00 -7.9329724718513184e-01  3.7858356998163472e+01

   25  2.0635194114489099e+02 -3.9244607238174910e+02 -7.9082776538637816e+01

    3 -9.3154154406981306e+01 -3.0880545941974270e+02  1.1657197230656188e+02

   10  1.0417628035737142e+01  9.5166241580519078e+00 -1.5993325842278098e+01

   16 -1.4932109900107500e+03 -9.6621113088967434e+02  1.5055739940566230e+01

   21  3.3807694926102457e+01 -1.0982950545660252e+01 -1.3462734872223299e+01

   26 -1.2841901983417290e+02 -1.6178548378645780e+02 -1.3365878119078800e+03

    7  1.6031168264066885e+03  1.1029164542245007e+03  5.0414597521932997e+01

   12  1.0525551534643971e+03  7.4262127401349673e+01 -4.5416858566065127e+02

   17 -3.3301050400782842e+03  3.3421320128432008e+03  1.0101186951131381e+03

   30 -5.6501460297446876e+01  4.2881449717826109e+02 -1.3958146805519362e+02

    2 -3.0372690475978021e+02 -4.6931167715495590e+01  2.9442792753614401e+02

   19  1.8952391042117915e+03 -1.2047624890674313e+03  2.1261401027122699e+02

   24 -1.5370029673870897e+02  2.1128500541794885e+01  4.1251326301377708e+02

   27 -2.0907415042452735e+03  9.1380256021031573e+02  2.8615377255685723e+02

    6 -1.3595166594907950e+00 -1.5740190822057512e+00 -3.0322738534176530e+01

   20 -3.5063181588807808e+01  2.1483978786156960e+01 -2.3084370543254571e+00

   31  3.1152178327873571e+01 -2.8422599068977743e+01  1.5911336520082946e+01

    5  1.3375345652022935e+01  1.3073857390039526e+01  8.2964302662197085e+00

   28  1.0836876185929509e+02  1.5461358231631482e+02  1.3490043613105404e+03

   32 -7.5900898767159548e+00 -4.1578510745986472e+00 -1.1120464673161598e+01

    1  2.2401747878321196e+01  1.0286896229212971e+01 -9.1131289953480943e-01

   14  4.5431872831258465e+02 -5.6767200786360370e+01 -9.8660026480658345e+01

   23  6.4412857444613323e+01 -8.2417432339603934e+01  4.6226058894708487e+01

...