spin2_oc_oracle_v1
model_sha256 49b0e1dc04d743bec8d1eeb1342048ed86474e4043d36164dbf974a2babb842c
descriptor_dim 49
spin_descriptor_dim 19
case zero 5
types Fe Ge Fe Ge Fe
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 15 1.00000000000000000e+00 1.00000000000000000e+00 1.00000000000000000e+00 2.39999999999999991e+00 1.30000000000000004e+00 8.00000000000000044e-01 6.99999999999999956e-01 2.60000000000000009e+00 1.39999999999999991e+00 1.30000000000000004e+00 5.00000000000000000e-01 2.70000000000000018e+00 3.10000000000000009e+00 2.79999999999999982e+00 2.20000000000000018e+00
spins 15 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
potential 5 -5.92116464305517121e-02 3.27338397837536765e-01 -8.26910667323634552e-02 3.30897541617062863e-01 -8.85541677772570951e-02
forces 15 -1.57326720648915015e-02 -1.03345156732367049e-02 -2.54461484181165293e-02 -3.80816161587032697e-03 -1.39389840875504371e-02 1.66639619390817131e-03 -1.05112116121948308e-02 1.23266450198169022e-04 4.27078917632471924e-03 1.26964425401278284e-02 1.34624753743620082e-02 1.69595389956757130e-03 1.73556027528288387e-02 1.06877579362269631e-02 1.78130091483160689e-02
virial 45 -2.58710468456150406e-03 5.40007130997498860e-03 1.78957717117650015e-03 1.31758968019131204e-02 9.21368681800917994e-03 1.47753694172607607e-02 3.18538516972338096e-03 1.26940631299144371e-02 -1.75032567863530261e-02 2.21281229081144587e-02 1.06559538912031444e-03 1.12171704377576099e-02 -6.93395261257258831e-03 2.20581800273056579e-02 2.22239046735200549e-02 3.53752719539632667e-03 1.99943569050523851e-02 1.11154833228832139e-02 7.82215319511016596e-03 1.19286891449644789e-03 5.65583686834754580e-03 1.05907536844939455e-02 1.16104164501993831e-03 1.24447042325763870e-03 8.92342334142628806e-03 -2.99660856266940022e-03 2.94217792216571860e-03 -1.19091661103239831e-02 -1.11741697815356377e-02 1.17903887451346889e-02 -1.86527562752959591e-02 -3.32974297883542811e-02 7.96593756581717152e-04 1.88887325332285569e-02 8.95964336648156535e-03 2.80720590518020625e-02 2.26236304560797664e-02 1.04471107886990495e-02 8.51485007749168583e-03 8.75153502221664298e-03 9.38677899009897863e-03 -4.91717213143036337e-04 4.43275506013349457e-03 -1.02833781301861894e-04 1.00730552849443637e-03
mforces 15 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00
tau 15 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
descriptor 245 -7.05246188926680062e-02 1.07256295624208520e-01 -1.53410872033035890e-02 6.50689289704109580e-02 2.40527125119638835e-01 4.45824191930281871e-03 2.94158867280357346e-03 5.22336533825402440e-03 5.67493571703868160e-02 6.77130696836163257e-03 8.27164071495112112e-03 1.55680472931507595e-03 9.28917686596862288e-03 1.13345431672762283e-02 1.52988862076342859e-02 7.44577334898409611e-03 5.98724748304496623e-03 1.20347344761651941e-02 1.41775909179179121e-01 1.92472185359746570e-02 8.05248643541293420e-03 1.28141371928742250e-02 1.64130251992107741e-02 3.19953849503933851e-01 2.38677531863513218e-02 1.84402638811048534e-04 1.72566869285548594e-05 3.04567412887348334e-04 -3.57918190790100120e-04 6.46681795212991888e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 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end
case collinear 5
types Fe Ge Fe Ge Fe
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 15 1.00000000000000000e+00 1.00000000000000000e+00 1.00000000000000000e+00 2.39999999999999991e+00 1.30000000000000004e+00 8.00000000000000044e-01 6.99999999999999956e-01 2.60000000000000009e+00 1.39999999999999991e+00 1.30000000000000004e+00 5.00000000000000000e-01 2.70000000000000018e+00 3.10000000000000009e+00 2.79999999999999982e+00 2.20000000000000018e+00
spins 15 0.00000000000000000e+00 0.00000000000000000e+00 8.00000000000000044e-01 0.00000000000000000e+00 0.00000000000000000e+00 -5.99999999999999978e-01 0.00000000000000000e+00 0.00000000000000000e+00 1.10000000000000009e+00 0.00000000000000000e+00 0.00000000000000000e+00 -2.99999999999999989e-01 0.00000000000000000e+00 0.00000000000000000e+00 5.00000000000000000e-01
potential 5 -6.26339828520360298e-02 3.27338397837536765e-01 -8.77968266628408739e-02 3.30897541617062863e-01 -9.66266701663764382e-02
forces 15 -1.81210886035211398e-03 -9.71634690684888488e-03 -2.59131256434607347e-02 -5.31775584255836549e-03 -3.10261493089730861e-02 -9.20103362132180386e-03 -2.47519967455969991e-02 1.40000939680455499e-02 7.87877306378308509e-03 1.30457458306837918e-02 1.24104410257424806e-02 5.37049588759959048e-03 1.88361156178236955e-02 1.43319612220339388e-02 2.18648903133998596e-02
virial 45 -3.84304442480650106e-03 3.62041582096779167e-03 1.27693532205909129e-03 1.10300345831399072e-02 8.12718099185074164e-03 1.29327446765562550e-02 2.13867687464085448e-03 1.18121673406327028e-02 -1.82279541986059210e-02 2.93811419133045565e-02 -1.76322985665085877e-02 4.88754938705967569e-03 -2.45678894110951153e-02 4.12718099464745997e-02 3.86467057134373682e-02 1.43495139213000800e-03 3.25083797462472346e-02 2.20790648782708543e-02 4.97139669900946955e-03 2.48458404535336274e-03 5.84645687391789192e-03 1.09179050490876648e-02 1.39154885485665166e-03 1.31211782142942536e-03 8.14692945480875903e-03 -2.52823245784059188e-03 3.02164481562483675e-03 -1.21541303921815363e-02 -1.34070592098086017e-02 1.40045531639063116e-02 -2.09895240231755473e-02 -2.83308061418226821e-02 -5.54691554566799291e-03 1.87096646282118653e-02 7.94759338876213292e-03 3.32743384358036645e-02 2.50949435954062813e-02 1.11179715610140763e-02 6.26684468849117264e-03 9.79308745306112574e-03 1.02248815916114941e-02 -8.27371229778703149e-04 5.51363677403226768e-03 3.61462641414304973e-04 2.12333403683304220e-04
mforces 15 -1.12560614677280541e-03 -4.80509889190929365e-03 5.14312232642127019e-03 0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 -3.86556857522968355e-03 -1.89115293815404761e-03 3.44349351150783148e-03 -0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 3.17147263310248433e-03 2.21939242291238712e-03 3.20811772142121435e-03
tau 15 3.84407911352743509e-03 -9.00484917418244353e-04 0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 2.08026823196945246e-03 -4.25212543275265212e-03 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -1.10969621145619356e-03 1.58573631655124217e-03 0.00000000000000000e+00
descriptor 245 -7.05246188926680062e-02 1.07256295624208520e-01 -1.53410872033035890e-02 6.50689289704109580e-02 2.40527125119638835e-01 4.45824191930281871e-03 2.94158867280357346e-03 5.22336533825402440e-03 5.67493571703868160e-02 6.77130696836163257e-03 8.27164071495112112e-03 1.55680472931507595e-03 9.28917686596862288e-03 1.13345431672762283e-02 1.52988862076342859e-02 7.44577334898409611e-03 5.98724748304496623e-03 1.20347344761651941e-02 1.41775909179179121e-01 1.92472185359746570e-02 8.05248643541293420e-03 1.28141371928742250e-02 1.64130251992107741e-02 3.19953849503933851e-01 2.38677531863513218e-02 1.84402638811048534e-04 1.72566869285548594e-05 3.04567412887348334e-04 -3.57918190790100120e-04 6.46681795212991888e-04 6.72000000000000153e-01 -3.83263874698452911e-01 -1.04876397285920547e-01 4.72852309341422403e-02 1.01754987338533415e-01 -7.02187816906070517e-02 2.31983016291930910e-01 1.73403866711752258e-02 7.93378557984413951e-02 5.21181960546037923e-02 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end
case noncollinear 5
types Fe Ge Fe Ge Fe
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 15 1.00000000000000000e+00 1.00000000000000000e+00 1.00000000000000000e+00 2.39999999999999991e+00 1.30000000000000004e+00 8.00000000000000044e-01 6.99999999999999956e-01 2.60000000000000009e+00 1.39999999999999991e+00 1.30000000000000004e+00 5.00000000000000000e-01 2.70000000000000018e+00 3.10000000000000009e+00 2.79999999999999982e+00 2.20000000000000018e+00
spins 15 8.00000000000000044e-01 1.00000000000000006e-01 2.00000000000000011e-01 2.00000000000000011e-01 9.00000000000000022e-01 -1.00000000000000006e-01 -2.99999999999999989e-01 4.00000000000000022e-01 6.99999999999999956e-01 5.00000000000000000e-01 -2.00000000000000011e-01 5.99999999999999978e-01 -4.00000000000000022e-01 -2.99999999999999989e-01 8.00000000000000044e-01
potential 5 -5.07580561565362243e-02 3.27338397837536765e-01 -9.05828983135494037e-02 3.30897541617062863e-01 -9.59857216054959689e-02
forces 15 -5.75429349374291868e-03 -4.60186786988371708e-03 -3.00590064724743332e-02 -9.33505371127993366e-03 -3.51435852859579290e-02 -1.13581616308170413e-02 -1.53174969310067351e-02 1.34695079271000360e-02 4.93547789205511615e-03 1.61195080399682659e-02 8.10189290005239315e-03 1.07791213017584889e-02 1.42873360960613337e-02 1.81740523286892108e-02 2.57025689094777694e-02
virial 45 -8.79478877161313233e-03 -2.62965385930298556e-05 2.29986180671551410e-03 1.21581377658622862e-02 7.59159977002837882e-03 1.08175485519031757e-02 9.62171901076468161e-04 1.05253077771301842e-02 -1.85640371647587364e-02 2.56999052547889767e-02 -8.31101558588453158e-03 1.08046661146735095e-02 -1.29523294558991885e-02 4.15501483992361947e-02 4.05707179006803004e-02 6.78109701926109427e-03 3.84393323552626315e-02 2.60514894127848728e-02 4.66978815071504051e-03 -1.56369611966088390e-03 5.33104546842893146e-03 9.64179497804312953e-03 1.94233985892728364e-03 3.58244309462581699e-03 7.66147757193522908e-03 -3.60438296890016642e-03 3.56161831338096908e-03 -1.09602053523876111e-02 -1.56000826322208359e-02 1.47556326840521512e-02 -2.39690800659346608e-02 -2.24594393819135818e-02 -9.43094998294126408e-03 2.35747900575006136e-02 1.48971810196862984e-03 4.18378539985520617e-02 1.57507328157261046e-02 1.28552968581512571e-02 6.63585537580036085e-03 5.47041652785992122e-03 1.10458361929087878e-02 -1.75380040044217120e-04 1.30844240329953173e-03 1.14862568708645188e-03 5.26487827389051114e-04
mforces 15 2.28358833489796589e-02 -9.75394594520380496e-04 1.88375364902104367e-03 -0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 -1.06962304287020939e-02 1.61341092181704962e-02 2.96051811228345216e-02 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -6.94363525185078944e-03 8.17956632980853388e-04 2.70133826365749757e-02
tau 15 3.83454283806180466e-04 3.06017375057909694e-03 -3.06390401051427055e-03 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 5.48195996414463328e-04 1.39419303675889124e-03 -5.61740593970311329e-04 0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 -8.75838009735717578e-03 5.25044485314936013e-03 -2.41027322874757827e-03
descriptor 245 -7.05246188926680062e-02 1.07256295624208520e-01 -1.53410872033035890e-02 6.50689289704109580e-02 2.40527125119638835e-01 4.45824191930281871e-03 2.94158867280357346e-03 5.22336533825402440e-03 5.67493571703868160e-02 6.77130696836163257e-03 8.27164071495112112e-03 1.55680472931507595e-03 9.28917686596862288e-03 1.13345431672762283e-02 1.52988862076342859e-02 7.44577334898409611e-03 5.98724748304496623e-03 1.20347344761651941e-02 1.41775909179179121e-01 1.92472185359746570e-02 8.05248643541293420e-03 1.28141371928742250e-02 1.64130251992107741e-02 3.19953849503933851e-01 2.38677531863513218e-02 1.84402638811048534e-04 1.72566869285548594e-05 3.04567412887348334e-04 -3.57918190790100120e-04 6.46681795212991888e-04 7.24500000000000255e-01 2.40732914587852065e-01 1.77775763959374583e-01 7.34769611684565338e-02 5.28219346313620539e-02 8.67238457741549562e-02 1.16861922064155258e-01 5.60686761990541183e-02 1.11610394961795728e-01 1.07523282761343472e-01 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end
case chiral_soc 5
types Fe Ge Fe Ge Fe
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 15 1.00000000000000000e+00 1.00000000000000000e+00 1.00000000000000000e+00 2.50000000000000000e+00 1.10000000000000009e+00 1.10000000000000009e+00 4.99999999999999944e-01 2.70000000000000018e+00 1.59999999999999987e+00 1.60000000000000009e+00 6.99999999999999956e-01 2.60000000000000009e+00 3.00000000000000000e+00 3.09999999999999964e+00 2.30000000000000027e+00
spins 15 1.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.00000000000000000e+00 5.99999999999999978e-01 -2.00000000000000011e-01 6.99999999999999956e-01 -4.00000000000000022e-01 8.00000000000000044e-01 2.99999999999999989e-01
potential 5 -6.27362886496013461e-02 3.26558114966302937e-01 -9.57470542107478340e-02 3.27858441655216382e-01 -1.04639595886170750e-01
forces 15 -5.54227038138833603e-03 -1.01433597339336060e-02 -1.70785662455643916e-02 -5.26842335959654302e-03 -2.17470470497777048e-02 -1.42392379009286755e-02 -5.21525264842718356e-03 1.09993757535991766e-02 1.39842746137471647e-03 1.23327582415897544e-02 7.96628239008961674e-03 1.48286481218540406e-02 3.69318814782230130e-03 1.29247486400225105e-02 1.50907285632643062e-02
virial 45 -1.43320162005175448e-02 -6.46867917288678103e-03 -9.82436316971170738e-03 3.03811931178616258e-03 1.49966013316243721e-02 1.19789775334701136e-02 -5.12232441864070992e-03 9.16361378064262447e-03 -1.50703803995079749e-02 6.89374029493883874e-03 5.22095887486172597e-03 6.84652846479148931e-03 9.91124795413668089e-03 2.63688467552297481e-02 1.87048978464498042e-02 5.26816692262203901e-03 1.59285717792985032e-02 1.11196030152038525e-02 7.11646196251847132e-03 1.54834572371999454e-03 7.82606796061221209e-04 5.73570827416633629e-03 5.87711596041954384e-03 7.74303373333777578e-03 2.37158088707423555e-03 4.09608995966002313e-03 3.37416021756177520e-03 3.23555987931610240e-03 -1.57617035660395401e-02 1.51017758362192792e-02 -2.21936515726479586e-02 -1.56732153691005599e-02 -1.39645715333098150e-02 2.02291774052175688e-02 2.67415352680915302e-03 4.01635570238628448e-02 6.57727658916136895e-03 7.97008640297726043e-03 4.11402749020038563e-03 -1.82832816777717296e-03 9.70697282498811723e-03 3.73300086059509626e-03 -1.86903694257649442e-03 2.11071675694408630e-03 3.17197695682154123e-03
mforces 15 3.58205085548852706e-02 -4.70219555769968781e-03 2.95962962682729848e-04 -0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 2.44610153385792705e-04 8.32531586128023443e-03 3.86819357322228385e-02 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -7.95234713848051722e-03 2.95225417913992684e-02 1.80940148384301711e-02
tau 15 0.00000000000000000e+00 -2.95962962682729848e-04 -4.70219555769968781e-03 0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 -8.32531586128023443e-03 2.44610153385792705e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 5.61844933332435788e-03 4.85190179382791447e-03 -5.44713900577529359e-03
descriptor 245 -6.75810534187783890e-02 1.38707555032158703e-01 -1.75476923196921410e-02 7.16129959534624744e-02 2.48432759044655893e-01 3.43859444884618169e-03 3.56136129997443752e-03 8.08990620211050282e-03 7.24443344532596512e-02 7.95069302770505526e-03 6.64563629053985076e-03 1.92993385899434136e-03 1.48174143124684340e-02 3.47144934890123852e-02 1.27106837121159534e-02 5.99355438965724040e-03 4.77571347178750057e-03 8.47802826618957936e-03 8.46796887888102007e-02 1.09409341235791550e-02 6.78405520279410160e-03 1.14363763726744762e-02 1.05237721647563603e-02 2.15496693166823794e-01 1.98720100321327607e-02 1.68053688765213035e-04 7.08189404612505395e-06 2.05637911588134537e-04 1.96557846713070038e-03 1.56883704659009605e-04 1.05000000000000004e+00 2.27738911217044981e-01 2.72519250115868639e-01 1.74641531510745379e-02 1.56124233131040208e-01 9.35900110282309183e-02 6.58076169528980653e-02 3.43504526940222252e-02 6.28415237401770410e-02 1.17208614149376847e-01 1.56449862117971822e-01 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end
case strained 5
types Fe Ge Fe Ge Fe
cell 9 1.42099999999999991e+01 0.00000000000000000e+00 5.60000000000000012e-02 1.56000000000000000e-01 1.28309999999999995e+01 0.00000000000000000e+00 -8.99999999999999967e-02 1.34999999999999981e-01 1.51200000000000010e+01
positions 15 1.02099999999999991e+00 9.95999999999999996e-01 1.01200000000000001e+00 2.44679999999999964e+00 1.29030000000000022e+00 8.16000000000000059e-01 7.33299999999999952e-01 2.57880000000000020e+00 1.41399999999999992e+00 1.30929999999999991e+00 5.17800000000000038e-01 2.72680000000000033e+00 3.16689999999999960e+00 2.78339999999999987e+00 2.22999999999999998e+00
spins 15 8.00000000000000044e-01 1.00000000000000006e-01 2.00000000000000011e-01 2.00000000000000011e-01 9.00000000000000022e-01 -1.00000000000000006e-01 -2.99999999999999989e-01 4.00000000000000022e-01 6.99999999999999956e-01 5.00000000000000000e-01 -2.00000000000000011e-01 5.99999999999999978e-01 -4.00000000000000022e-01 -2.99999999999999989e-01 8.00000000000000044e-01
potential 5 -5.10545504547867263e-02 3.27727816738337618e-01 -9.08737519625737317e-02 3.31061723698981403e-01 -9.64711621190459667e-02
forces 15 -6.29027458889026662e-03 -3.78992411939089308e-03 -3.00670511819619603e-02 -8.61339541019932875e-03 -3.42054881444234307e-02 -1.19031140494122879e-02 -1.49203411762391554e-02 1.39266116574538260e-02 4.13504569692564865e-03 1.62655500865018822e-02 6.36409126487923107e-03 1.26670589402274342e-02 1.35584610888268703e-02 1.77047093414812659e-02 2.51680605942211644e-02
virial 45 -1.14650155180668119e-02 -4.66714109348302132e-04 2.48659136737206313e-03 1.10485611540839471e-02 6.30704640236500608e-03 1.01574093209154167e-02 1.01948180407654670e-03 1.00513863768947262e-02 -1.89331495401233972e-02 2.90289872927940173e-02 -7.32655974996646031e-03 1.07634233912364090e-02 -1.13109796408913631e-02 4.06250710572814561e-02 3.93467510492339773e-02 6.60736449265592919e-03 3.74673298967108173e-02 2.63886427313549457e-02 4.45041110583351690e-03 -1.54122372861433378e-03 4.93471869047047446e-03 9.70055797717492979e-03 8.87528516823890058e-04 4.07678451209806964e-03 7.49515691090706267e-03 -3.42581105134442693e-03 3.26087618854093483e-03 -1.12642858559957610e-02 -1.63300203122324489e-02 1.50223502518261141e-02 -2.45967901803497285e-02 -1.80298610675972068e-02 -1.15010414177060157e-02 2.38928984488720811e-02 -6.94746437118765221e-04 4.50441806894503888e-02 1.50459656964289108e-02 1.27149500175424649e-02 6.29185796204413585e-03 5.46401970581315496e-03 1.07886698957393168e-02 -1.10035679295416656e-04 1.08171758556386503e-03 1.38209445640016305e-03 6.10919129089424829e-04
mforces 15 2.27345757809522715e-02 -1.22541140663074647e-03 1.94529336039605746e-03 -0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 -1.08013774543853532e-02 1.60318585865494995e-02 2.93595527268405501e-02 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 -6.82798847595949242e-03 7.20670685826481187e-04 2.68307175237709992e-02
tau 15 4.39611617365755051e-04 2.99068046787360825e-03 -3.25378670339982433e-03 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 5.21520080151572480e-04 1.24690159998241718e-03 -4.89006594210707928e-04 0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 -8.62575180579248403e-03 5.26989622874080715e-03 -2.33666481711844020e-03
descriptor 245 -6.80602501766408852e-02 1.04176754523995094e-01 -1.21251944765793512e-02 6.68528618312864142e-02 2.33827543972407875e-01 4.36887070409128827e-03 2.99746535863389986e-03 5.19211148986764917e-03 5.67924261898058724e-02 6.74637531992220308e-03 8.23661737554912989e-03 1.39421269133027811e-03 8.94741941257473986e-03 1.12357806694307876e-02 1.57219946087137144e-02 7.56764531915620972e-03 5.72102507170157547e-03 1.18074973607615093e-02 1.40030449008346131e-01 1.98743862911908084e-02 8.14597921773645844e-03 1.29891782021179913e-02 1.61072650187986978e-02 3.20585779270541327e-01 2.40437317288913800e-02 1.85837178734243907e-04 1.53517444363041312e-05 2.85403806030216087e-04 -3.52492335843597926e-04 6.71250318038988888e-04 7.24500000000000255e-01 2.41429005373565292e-01 1.85915316494064259e-01 7.22932713432989787e-02 5.53076625029408561e-02 8.70281192424463418e-02 1.18321395787355330e-01 5.55993093361496910e-02 1.13587484894165605e-01 1.08264396919944939e-01 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end
case random_multitype 8
types Ge Fe Ge Ge Fe Fe Ge Fe
cell 9 1.30000000000000000e+01 4.00000000000000022e-01 -2.00000000000000011e-01 0.00000000000000000e+00 1.40000000000000000e+01 2.99999999999999989e-01 0.00000000000000000e+00 0.00000000000000000e+00 1.35000000000000000e+01
positions 24 1.05195795123286806e+00 7.54513157485344976e+00 1.92678016605364433e+00 6.46852031811661554e+00 3.67791605244682529e+00 1.05287067051035566e+00 4.81735914385441433e+00 2.66519633158947888e+00 4.46326047297769435e+00 1.31815556951734236e+00 7.47518901279024117e+00 5.42123896216220835e+00 6.89722237837808461e+00 4.40524688937426134e+00 2.81634767538512243e+00 7.91697690449841840e+00 5.61941046163939095e+00 7.59164543829853056e+00 7.22363391762259788e+00 1.69287733412652353e+00 7.21909484608720842e+00 1.96643034124545912e+00 3.58552152099393107e+00 3.24131466612851726e+00
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tau 24 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 6.28627090601414809e-04 8.11714315441349442e-03 -3.57053020662185866e-03 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -4.25968067100239781e-03 -5.63968798557692910e-03 3.63601411785764370e-03 -6.29391204391600628e-04 -1.81191416217049738e-04 -3.38175517224063391e-05 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -4.10874470107470730e-04 1.94813455100326246e-04 6.08583714401230878e-04
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end
case pbc_wrap 4
types Fe Ge Fe Ge
cell 9 1.40000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.30000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.50000000000000000e+01
positions 12 2.50000000000000000e-01 1.10000000000000009e+00 1.19999999999999996e+00 1.34499999999999993e+01 1.39999999999999991e+00 1.00000000000000000e+00 6.79999999999999982e+00 2.00000000000000011e-01 1.44000000000000004e+01 6.50000000000000000e+00 1.25000000000000000e+01 4.50000000000000011e-01
spins 12 6.99999999999999956e-01 -1.00000000000000006e-01 2.99999999999999989e-01 -2.00000000000000011e-01 8.00000000000000044e-01 4.00000000000000022e-01 5.00000000000000000e-01 2.00000000000000011e-01 -5.99999999999999978e-01 -4.00000000000000022e-01 2.99999999999999989e-01 9.00000000000000022e-01
potential 4 -8.42088780522788627e-02 3.33484655192907153e-01 -7.15208236963757737e-02 3.27715023200246591e-01
forces 12 -9.50473931695540453e-03 3.13410898700932413e-03 -2.42127542792993505e-03 9.50473931695540453e-03 -3.13410898700932326e-03 2.42127542792993505e-03 -5.93743129379815764e-05 -1.03156957208635630e-02 1.03702494448350349e-02 5.93743129379815764e-05 1.03156957208635630e-02 -1.03702494448350349e-02
virial 36 1.40517895000737102e-02 -5.26942106252763741e-03 3.51294737501842147e-03 -5.26942106252763741e-03 1.97603289844786251e-03 -1.31735526563190718e-03 3.51294737501842364e-03 -1.31735526563190783e-03 8.78236843754604283e-04 -2.16555809536380373e-02 7.77670825213509949e-03 -5.44996771736237003e-03 8.12084285761425703e-03 -2.91626559455066036e-03 2.04373789401088779e-03 -5.41389523840950324e-03 1.94417706303377227e-03 -1.36249192934059121e-03 2.82708435471868314e-04 6.59653016101025848e-04 -9.89479524151539586e-04 6.59653016101025848e-04 1.53919037090239318e-03 -2.30878555635359107e-03 -9.89479524151541103e-04 -2.30878555635359497e-03 3.46317833453039505e-03 -3.00520729353262873e-04 -3.75436173236009304e-03 4.10055435760204798e-03 -7.01215035157613516e-04 -8.76017737550688867e-03 9.56796016773811715e-03 1.05182255273642087e-03 1.31402660632603425e-02 -1.43519402516071870e-02
mforces 12 1.27531509024228426e-02 -4.82601712361032005e-03 3.33579334338165827e-03 -0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00 3.37816214374071994e-03 7.09201240696254349e-03 -8.52323903051117882e-03 0.00000000000000000e+00 -0.00000000000000000e+00 -0.00000000000000000e+00
tau 12 1.11422580274493014e-03 1.49088993035969208e-03 -2.10289689628493943e-03 0.00000000000000000e+00 -0.00000000000000000e+00 0.00000000000000000e+00 2.55055963807529007e-03 2.23472222901115744e-03 2.87037377473312776e-03 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
descriptor 196 5.16185746624645767e-02 1.76884346135157466e-01 -7.40262025965959525e-02 6.55997073828373384e-02 1.12072297017457287e-01 9.40645425915942750e-04 7.36249283374942778e-04 3.19668313609047881e-03 3.08967906635729019e-02 1.58708583300605261e-07 1.77402426819238792e-03 1.38440036189530543e-03 5.99378088013966318e-03 5.77744866072138902e-02 2.96004103773678052e-07 2.77242862376683458e-03 2.15840601879175404e-03 9.32365914684661970e-03 8.96760509508072456e-02 4.58491462870177151e-07 3.93585849265413838e-03 3.05826625401898512e-03 1.31863179363552116e-02 1.26601483694805284e-01 6.46170660581033930e-07 -2.84591055179943425e-05 -1.92806714428876942e-05 -1.70781322997490465e-04 5.02752027610208190e-03 5.73783561180203276e-11 6.19499999999999940e-01 -1.74237775997113792e-02 1.48646602638318776e-01 -4.25482426193941263e-02 6.42129375170715638e-02 1.85127636985703238e-03 2.57753349269975347e-02 4.13983671591686749e-03 2.23234688433629827e-02 1.41576871256138721e-02 1.81797048282354608e-02 -2.76431128195111153e-03 3.33531766653694822e-04 0.00000000000000000e+00 -3.67002703038751989e-20 -3.36017590519515397e-20 -3.07556899285580491e-02 1.47891219135072268e-05 -4.99132864593347225e-06 7.59639314187399300e-02 -1.59799653811237472e-03 -8.56469500635229503e-02 9.20808779299727223e-03 2.16262270868256695e-01 7.05403389826665477e-05 2.51696614091676141e-05 5.54413628332282332e-06 1.95414149260825969e-03 6.57590077887456291e-03 1.33036604223014292e-04 4.73275684614674221e-05 1.03952555311782902e-05 3.65408571791906627e-03 1.22645768494360468e-02 2.07908367528952830e-04 7.37879817382879982e-05 1.61703974928793125e-05 5.67177652735405876e-03 1.89970466945995099e-02 2.95155628901596235e-04 1.04550901238080577e-04 2.28695621686753982e-05 8.00721392094184622e-03 2.67733103139892112e-02 5.84438257764442829e-07 1.21871143574330672e-07 1.23350761433176640e-08 -7.99682854424218868e-05 -4.83927560573297461e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 3.01468104373405592e-02 1.76168381072707964e-01 -6.77166451152928263e-03 -1.91499059291105091e-02 1.11629493293419160e-01 4.77078843743617835e-05 2.83135148150888107e-06 2.48297304393067710e-03 2.30207263721514017e-02 2.11720351068277234e-03 8.99753959700831164e-05 5.32390876862497692e-06 4.65557445734674120e-03 4.30468867125501642e-02 3.94875257943122504e-03 1.40612711840963753e-04 8.30045776206415371e-06 7.24200471139926829e-03 6.68162545926675178e-02 6.11636569755151169e-03 1.99619831987758284e-04 1.17609984616522594e-05 1.02422638062000648e-02 9.43288300128410639e-02 8.62004286492270601e-03 -3.25063016324410557e-07 -4.59806921931999246e-09 -1.16909282658415271e-04 3.23342140811863719e-03 -8.84079636507812647e-05 6.82500000000000107e-01 -1.39997402283584038e-01 2.21641107921431879e-01 -5.11358071152866189e-02 6.17262927828514663e-02 1.01148123143753627e-01 4.54117655902566211e-02 1.88837667743768887e-02 2.75745137794605570e-02 2.69303122517979381e-02 3.20295544751647981e-02 -3.31176818034775861e-02 2.15324040288501425e-02 0.00000000000000000e+00 4.01427988788813615e-21 -9.10902532783126873e-20 -2.95503891787142980e-01 2.15852616436832656e-05 -7.28502580492522905e-06 1.25352641762014383e-01 7.28280177633249537e-02 -1.03166179865455399e-01 -2.67786858170962483e-02 1.62670043788213897e-01 2.84165346339279752e-04 6.58092475802447884e-04 7.49605881464727249e-04 2.86782350571034055e-05 1.38397441798397691e-02 5.35925872487288501e-04 1.23743884338359364e-03 1.40551102773933613e-03 5.36259679934523442e-05 2.58122212876865653e-02 8.37539968162282649e-04 1.92927965129196708e-03 2.18635048758577047e-03 8.32368285807790490e-05 3.99814831863574208e-02 1.18900763336875735e-03 2.73361489948709038e-03 3.09212426103778245e-03 1.17510816819504062e-04 5.63475298750619052e-02 4.72540456512694826e-06 1.62935311209558176e-05 -1.93927976872532398e-05 -1.42171454098376513e-07 -1.47754110897828556e-03 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
end
case cutoff_boundary 3
types Fe Ge Fe
cell 9 3.00000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 3.00000000000000000e+01 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 3.00000000000000000e+01
positions 9 1.00000000000000000e+01 1.00000000000000000e+01 1.00000000000000000e+01 1.59990000000000006e+01 1.00000000000000000e+01 1.00000000000000000e+01 1.60010000000000012e+01 1.00000000000000000e+01 1.00000000000000000e+01
spins 9 8.00000000000000044e-01 2.00000000000000011e-01 -1.00000000000000006e-01 1.00000000000000006e-01 -6.99999999999999956e-01 4.00000000000000022e-01 -2.00000000000000011e-01 2.99999999999999989e-01 9.00000000000000022e-01
potential 3 -8.32318993498517290e-02 3.29681447987627774e-01 -7.13109550855895863e-02
forces 9 -1.43707945201301993e-06 -7.22147066205226335e-11 3.89531637286764641e-11 -3.09112407939898359e-01 1.29770620499167211e+00 2.04532259448425124e+00 3.09113845019350408e-01 -1.29770620491945743e+00 -2.04532259452320453e+00
virial 27 -2.93966470753755969e-06 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 4.62080632753010328e-04 -2.59541197662375642e-03 -4.09064542272780454e-03 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 1.67707761626060598e-04 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00
mforces 9 8.40945138585819270e-03 2.10236276150447708e-03 -1.05118139163497422e-03 -0.00000000000000000e+00 0.00000000000000000e+00 -0.00000000000000000e+00 -7.03301404796874245e-03 6.75478102100280156e-03 2.04391969215204569e-03
tau 9 -2.17654714863770181e-12 -2.52778399373845918e-11 -6.79680568705159857e-11 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -5.46612701125690804e-03 -5.92092870474145942e-03 7.58948010190062185e-04
descriptor 147 1.47521439864990173e-09 1.18105436190921681e-08 7.89743274401901861e-09 -7.00390494614670951e-09 -3.52443628527966126e-09 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 7.24500000000000255e-01 -2.36214106655638123e-09 1.58337268357787481e-08 2.76075237145149768e-09 1.01387523590957858e-08 2.50977488306390691e-10 3.72216815088944455e-16 5.72138275295796010e-18 3.77202591477182842e-16 1.95180885909617846e-16 2.62529734321134010e-16 -3.99189048055615242e-17 6.13005294942266614e-18 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 -3.93628663666786439e-09 3.38780876504950099e-26 -1.14338545823279111e-26 3.11224017777574580e-01 -3.83686994882224824e-02 -4.29223971835686127e-02 -1.81424454641467350e-02 4.95160748876842194e-01 1.37166176875618028e-04 1.53328452587316413e-04 1.26397467405877251e-03 1.56970239176155296e-02 2.53485044525444958e-02 2.58690596741668292e-04 2.88309910846634167e-04 2.36995251384834260e-03 2.93521585454054566e-02 4.72769725898618473e-02 4.04279258161842608e-04 4.49501361005675269e-04 3.68659279930489423e-03 4.55596547854964160e-02 7.32290128631877119e-02 5.73932161138308514e-04 6.36902803055005803e-04 5.21389553048531938e-03 6.43195126381183174e-02 1.03204625271073880e-01 -1.58472122611943225e-06 1.83239439840714844e-06 -4.24618143257740949e-05 -1.82057994869423917e-03 -3.66248615050892862e-03 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 0.00000000000000000e+00 4.22739539323309654e-02 1.77413570130210585e-01 2.46468798339966218e-03 9.04350231981507907e-02 6.63066448046104734e-02 6.50944846302785318e-03 9.84001006049986833e-06 1.53046615201488222e-02 7.62756892667978553e-02 8.08833994894267265e-03 1.22765913996917570e-02 1.85025830196591890e-05 2.86962403501354879e-02 1.42629337654677391e-01 1.50853959364558327e-02 1.91857428384987934e-02 2.88472089808993005e-05 4.46385961000321588e-02 2.21385537141297273e-01 2.33663154081463972e-02 2.72369027795518158e-02 4.08738879436147808e-05 6.31317287705277230e-02 3.12544287727774817e-01 3.29310983635522567e-02 -5.18082130847086100e-04 2.97905238464500219e-08 -1.78906690643845616e-03 1.95012740962923516e-02 -6.60140797317001950e-04 9.87000000000000099e-01 5.41423875410697308e-02 2.79171685741326669e-01 -2.72013437397354910e-02 -1.19173989242876963e-01 7.47841727865660496e-03 1.15710409437053532e-01 1.77859654387904458e-03 1.17260329279086459e-01 6.06755506665972444e-02 8.16121728418968823e-02 1.61323788225271082e-02 3.22053017043182760e-03 5.49329100740444918e-19 0.00000000000000000e+00 0.00000000000000000e+00 1.06931215392978243e-01 1.85687876496525939e-04 -6.26696583191442260e-05
end
