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CdZnTe_v1.bop.table
a2b4a794d9a2lammm-master-deprecated

CdZnTe_v1.bop.table
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			### DATE: 2012-12-17 CONTRIBUTOR: X. W. Zhou, xzhou@sandia.gov, Don Ward, donward@sandia.gov, CITATION: Ward, Zhou, Wong, Doty, and Zimmerman, Phys. Rev. B, 86, 245203 (2012)
			3
			48 1.12411800e+02 Cd
			52 1.27603000e+02 Te
			30 6.54094000e+01 Zn
			2000 3 2000
			1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-05 1.00e-03 1.00e-05
			4.20000000e-01
			4.60686339e-01
			4.20000000e-01
			4.33300000e+00
			5.61129753e-01 0.00000000e+00 1.00000000e+00 1.00000000e+00
			0.00000000e+00 0.00000000e+00
			4.31862814e-01 1.50000000e+01 1.00000000e+06
			4.44650000e+00
			1.01480916e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
			0.00000000e+00 0.00000000e+00
			3.31226910e-01 -2.86019034e+00 1.00000000e+06
			3.90000000e+00
			1.24372484e-01 0.00000000e+00 1.00000000e+00 1.00000000e+00
			0.00000000e+00 0.00000000e+00
			5.56695878e-01 -3.87840577e+00 1.00000000e+06
			4.90000000e+00
			1.28695491e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
			0.00000000e+00 0.00000000e+00
			5.00000000e-01 0.00000000e+00 1.00000000e+06
			4.15000000e+00
			3.65000000e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
			0.00000000e+00 0.00000000e+00
			2.60532494e-01 1.10673439e+01 1.00000000e+06
			4.36910000e+00
			1.17590369e+00 0.00000000e+00 1.00000000e+00 1.00000000e+00
			0.00000000e+00 0.00000000e+00
			5.00000000e-01 0.00000000e+00 1.00000000e+06
			3.96870147e-01 8.81019506e-01 -2.77889653e-01 0.00000000e+00
			-1.00712750e-01 9.99999992e-01 1.00712759e-01 0.00000000e+00
			-7.52688172e-02 7.16845878e-01 3.58422939e-01 0.00000000e+00
			2.00732163e-01 6.00000000e-01 1.99267837e-01 0.00000000e+00
			-9.56820959e-02 9.41391944e-01 1.54290152e-01 0.00000000e+00
			6.09822581e-02 7.27514192e-01 2.11503550e-01 0.00000000e+00
			2.09523810e-01 6.00000000e-01 1.90476190e-01 0.00000000e+00
			3.92849649e-03 9.99927169e-01 -3.85566522e-03 0.00000000e+00
			2.16156563e-01 6.82313444e-01 1.01529994e-01 0.00000000e+00
			1.17181699e-01 8.34811600e-01 4.80067013e-02 0.00000000e+00
			-8.89630885e-02 8.67482946e-01 2.21480142e-01 0.00000000e+00
			2.09523810e-01 6.00000000e-01 1.90476190e-01 0.00000000e+00
			1.19970103e-01 6.00000000e-01 2.80029897e-01 0.00000000e+00
			4.56047891e-01 9.69786122e-01 -4.25834013e-01 0.00000000e+00
			-9.00122336e-02 8.79023459e-01 2.10988775e-01 0.00000000e+00
			2.09523810e-01 6.00000000e-01 1.90476190e-01 0.00000000e+00
			1.97205765e-03 9.99999995e-01 -1.97205245e-03 0.00000000e+00
			4.76190476e-01 1.00000000e+00 -4.76190476e-01 0.00000000e+00
			3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
			3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
			3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
			3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
			3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
			3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
			3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
			3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
			3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05 3.72364727e+05
			3.72364727e+05 3.72364727e+05 3.50443248e+05 3.27171549e+05 3.05878085e+05
			2.86359326e+05 2.68436179e+05 2.51950654e+05 2.36763029e+05 2.22749452e+05
			2.09799879e+05 1.97816327e+05 1.86711366e+05 1.76406821e+05 1.66832657e+05
			1.57926012e+05 1.49630358e+05 1.41894772e+05 1.34673305e+05 1.27924423e+05
			1.21610524e+05 1.15697516e+05 1.10154436e+05 1.04953128e+05 1.00067949e+05
			9.54755133e+04 9.11544657e+04 8.70852786e+04 8.32500744e+04 7.96324652e+04
			7.62174109e+04 7.29910926e+04 6.99407988e+04 6.70548240e+04 6.43223771e+04
			6.17335002e+04 5.92789945e+04 5.69503540e+04 5.47397060e+04 5.26397567e+04
			5.06437427e+04 4.87453867e+04 4.69388574e+04 4.52187330e+04 4.35799686e+04
			4.20178661e+04 4.05280463e+04 3.91064249e+04 3.77491891e+04 3.64527770e+04
			3.52138589e+04 3.40293197e+04 3.28962432e+04 3.18118973e+04 3.07737207e+04
			2.97793109e+04 2.88264126e+04 2.79129075e+04 2.70368046e+04 2.61962316e+04
			2.53894266e+04 2.46147308e+04 2.38705814e+04 2.31555053e+04 2.24681130e+04
			2.18070937e+04 2.11712094e+04 2.05592908e+04 1.99702328e+04 1.94029904e+04
			1.88565749e+04 1.83300505e+04 1.78225310e+04 1.73331768e+04 1.68611920e+04
			1.64058219e+04 1.59663506e+04 1.55420985e+04 1.51324202e+04 1.47367029e+04
			1.43543638e+04 1.39848492e+04 1.36276324e+04 1.32822119e+04 1.29481108e+04
			1.26248747e+04 1.23120708e+04 1.20092866e+04 1.17161291e+04 1.14322232e+04
			1.11572112e+04 1.08907518e+04 1.06325191e+04 1.03822019e+04 1.01395028e+04
			9.90413775e+03 9.67583515e+03 9.45433528e+03 9.23938972e+03 9.03076076e+03
			8.82822087e+03 8.63155224e+03 8.44054622e+03 8.25500298e+03 8.07473097e+03
			7.89954661e+03 7.72927388e+03 7.56374394e+03 7.40279483e+03 7.24627111e+03
			7.09402360e+03 6.94590905e+03 6.80178987e+03 6.66153392e+03 6.52501420e+03
			6.39210865e+03 6.26269995e+03 6.13667525e+03 6.01392603e+03 5.89434788e+03
			5.77784032e+03 5.66430664e+03 5.55365373e+03 5.44579194e+03 5.34063490e+03
			5.23809942e+03 5.13810533e+03 5.04057535e+03 4.94543501e+03 4.85261246e+03
			4.76203844e+03 4.67364613e+03 4.58737105e+03 4.50315098e+03 4.42092586e+03
			4.34063773e+03 4.26223059e+03 4.18565037e+03 4.11084484e+03 4.03776355e+03
			3.96635771e+03 3.89658021e+03 3.82838547e+03 3.76172944e+03 3.69656952e+03
			3.63286450e+03 3.57057451e+03 3.50966098e+03 3.45008659e+03 3.39181521e+03
			3.33481187e+03 3.27904269e+03 3.22447489e+03 3.17107670e+03 3.11881736e+03
			3.06766706e+03 3.01759691e+03 2.96857892e+03 2.92058595e+03 2.87359170e+03
			2.82757066e+03 2.78249808e+03 2.73834998e+03 2.69510309e+03 2.65273483e+03
			2.61122328e+03 2.57054719e+03 2.53068591e+03 2.49161941e+03 2.45332824e+03
			2.41579352e+03 2.37899690e+03 2.34292056e+03 2.30754720e+03 2.27286001e+03
			2.23884265e+03 2.20547924e+03 2.17275435e+03 2.14065299e+03 2.10916056e+03
			2.07826289e+03 2.04794619e+03 2.01819706e+03 1.98900245e+03 1.96034967e+03
			1.93222639e+03 1.90462058e+03 1.87752057e+03 1.85091497e+03 1.82479273e+03
			1.79914305e+03 1.77395544e+03 1.74921969e+03 1.72492585e+03 1.70106423e+03
			1.67762538e+03 1.65460012e+03 1.63197949e+03 1.60975476e+03 1.58791742e+03
			1.56645919e+03 1.54537199e+03 1.52464795e+03 1.50427938e+03 1.48425881e+03
			1.46457894e+03 1.44523265e+03 1.42621301e+03 1.40751324e+03 1.38912674e+03
			1.37104707e+03 1.35326796e+03 1.33578325e+03 1.31858698e+03 1.30167331e+03
			1.28503652e+03 1.26867107e+03 1.25257152e+03 1.23673257e+03 1.22114905e+03
			1.20581589e+03 1.19072816e+03 1.17588105e+03 1.16126984e+03 1.14688994e+03
			1.13273684e+03 1.11880617e+03 1.10509363e+03 1.09159504e+03 1.07830629e+03
			1.06522338e+03 1.05234241e+03 1.03965955e+03 1.02717106e+03 1.01487328e+03
			1.00276265e+03 9.90835667e+02 9.79088917e+02 9.67519059e+02 9.56122826e+02
			9.44897022e+02 9.33838520e+02 9.22944261e+02 9.12211255e+02 9.01636573e+02
			8.91217350e+02 8.80950785e+02 8.70834133e+02 8.60864711e+02 8.51039890e+02
			8.41357098e+02 8.31813818e+02 8.22407585e+02 8.13135985e+02 8.03996655e+02
			7.94987281e+02 7.86105599e+02 7.77349388e+02 7.68716476e+02 7.60204734e+02
			7.51812077e+02 7.43536462e+02 7.35375889e+02 7.27328397e+02 7.19392065e+02
			7.11565011e+02 7.03845391e+02 6.96231397e+02 6.88721259e+02 6.81313239e+02
			6.74005636e+02 6.66796783e+02 6.59685043e+02 6.52668813e+02 6.45746522e+02
			6.38916629e+02 6.32177622e+02 6.25528020e+02 6.18966369e+02 6.12491245e+02
			6.06101249e+02 5.99795010e+02 5.93571184e+02 5.87428451e+02 5.81365518e+02
			5.75381114e+02 5.69473994e+02 5.63642935e+02 5.57886738e+02 5.52204226e+02
			5.46594244e+02 5.41055658e+02 5.35587356e+02 5.30188247e+02 5.24857257e+02
			5.19593335e+02 5.14395448e+02 5.09262582e+02 5.04193741e+02 4.99187948e+02
			4.94244244e+02 4.89361684e+02 4.84539345e+02 4.79776316e+02 4.75071707e+02
			4.70424639e+02 4.65834251e+02 4.61299699e+02 4.56820150e+02 4.52394789e+02
			4.48022815e+02 4.43703438e+02 4.39435886e+02 4.35219398e+02 4.31053226e+02
			4.26936637e+02 4.22868908e+02 4.18849331e+02 4.14877209e+02 4.10951856e+02
			4.07072601e+02 4.03238780e+02 3.99449744e+02 3.95704852e+02 3.92003477e+02
			3.88345001e+02 3.84728816e+02 3.81154324e+02 3.77620938e+02 3.74128081e+02
			3.70675185e+02 3.67261692e+02 3.63887051e+02 3.60550723e+02 3.57252178e+02
			3.53990891e+02 3.50766350e+02 3.47578048e+02 3.44425489e+02 3.41308184e+02
			3.38225650e+02 3.35177416e+02 3.32163014e+02 3.29181986e+02 3.26233883e+02
			3.23318259e+02 3.20434679e+02 3.17582713e+02 3.14761937e+02 3.11971936e+02
			3.09212300e+02 3.06482627e+02 3.03782519e+02 3.01111586e+02 2.98469443e+02
			2.95855713e+02 2.93270023e+02 2.90712005e+02 2.88181300e+02 2.85677551e+02
			2.83200410e+02 2.80749530e+02 2.78324574e+02 2.75925206e+02 2.73551099e+02
			2.71201928e+02 2.68877373e+02 2.66577122e+02 2.64300865e+02 2.62048296e+02
			2.59819116e+02 2.57613029e+02 2.55429744e+02 2.53268974e+02 2.51130437e+02
			2.49013854e+02 2.46918951e+02 2.44845457e+02 2.42793108e+02 2.40761639e+02
			2.38750794e+02 2.36760317e+02 2.34789958e+02 2.32839469e+02 2.30908607e+02
			2.28997132e+02 2.27104807e+02 2.25231399e+02 2.23376678e+02 2.21540418e+02
			2.19722395e+02 2.17922391e+02 2.16140187e+02 2.14375569e+02 2.12628329e+02
			2.10898256e+02 2.09185148e+02 2.07488801e+02 2.05809017e+02 2.04145600e+02
			2.02498356e+02 2.00867094e+02 1.99251626e+02 1.97651768e+02 1.96067335e+02
			1.94498148e+02 1.92944028e+02 1.91404801e+02 1.89880294e+02 1.88370335e+02
			1.86874757e+02 1.85393394e+02 1.83926081e+02 1.82472659e+02 1.81032966e+02
			1.79606848e+02 1.78194147e+02 1.76794712e+02 1.75408392e+02 1.74035038e+02
			1.72674504e+02 1.71326644e+02 1.69991316e+02 1.68668379e+02 1.67357694e+02
			1.66059124e+02 1.64772533e+02 1.63497788e+02 1.62234756e+02 1.60983309e+02
			1.59743317e+02 1.58514655e+02 1.57297196e+02 1.56090817e+02 1.54895398e+02
			1.53710817e+02 1.52536956e+02 1.51373699e+02 1.50220928e+02 1.49078531e+02
			1.47946395e+02 1.46824409e+02 1.45712462e+02 1.44610447e+02 1.43518257e+02
			1.42435786e+02 1.41362931e+02 1.40299587e+02 1.39245654e+02 1.38201031e+02
			1.37165619e+02 1.36139321e+02 1.35122039e+02 1.34113680e+02 1.33114147e+02
			1.32123350e+02 1.31141195e+02 1.30167592e+02 1.29202451e+02 1.28245685e+02
			1.27297206e+02 1.26356927e+02 1.25424763e+02 1.24500631e+02 1.23584447e+02
			1.22676129e+02 1.21775597e+02 1.20882769e+02 1.19997567e+02 1.19119913e+02
			1.18249730e+02 1.17386941e+02 1.16531470e+02 1.15683245e+02 1.14842190e+02
			1.14008234e+02 1.13181305e+02 1.12361331e+02 1.11548244e+02 1.10741972e+02
			1.09942449e+02 1.09149606e+02 1.08363377e+02 1.07583696e+02 1.06810497e+02
			1.06043716e+02 1.05283290e+02 1.04529156e+02 1.03781250e+02 1.03039513e+02
			1.02303883e+02 1.01574299e+02 1.00850704e+02 1.00133038e+02 9.94212424e+01
			9.87152611e+01 9.80150370e+01 9.73205142e+01 9.66316374e+01 9.59483517e+01
			9.52706033e+01 9.45983385e+01 9.39315047e+01 9.32700496e+01 9.26139215e+01
			9.19630693e+01 9.13174427e+01 9.06769917e+01 9.00416670e+01 8.94114198e+01
			8.87862019e+01 8.81659656e+01 8.75506638e+01 8.69402498e+01 8.63346776e+01
			8.57339016e+01 8.51378766e+01 8.45465582e+01 8.39599022e+01 8.33778651e+01
			8.28004037e+01 8.22274755e+01 8.16590382e+01 8.10950503e+01 8.05354704e+01
			7.99802577e+01 7.94293720e+01 7.88827733e+01 7.83404223e+01 7.78022797e+01
			7.72683072e+01 7.67384664e+01 7.62127196e+01 7.56910294e+01 7.51733589e+01
			7.46596715e+01 7.41499311e+01 7.36441019e+01 7.31421485e+01 7.26440358e+01
			7.21497293e+01 7.16591946e+01 7.11723980e+01 7.06893057e+01 7.02098847e+01
			6.97341020e+01 6.92619253e+01 6.87933224e+01 6.83282614e+01 6.78667109e+01
			6.74086398e+01 6.69540172e+01 6.65028126e+01 6.60549960e+01 6.56105374e+01
			6.51694072e+01 6.47315763e+01 6.42970158e+01 6.38656969e+01 6.34375913e+01
			6.30126711e+01 6.25909084e+01 6.21722758e+01 6.17567460e+01 6.13442923e+01
			6.09348879e+01 6.05285066e+01 6.01251221e+01 5.97247087e+01 5.93272409e+01
			5.89326933e+01 5.85410409e+01 5.81522589e+01 5.77663227e+01 5.73832081e+01
			5.70028911e+01 5.66253478e+01 5.62505546e+01 5.58784883e+01 5.55091257e+01
			5.51424440e+01 5.47784206e+01 5.44170330e+01 5.40582590e+01 5.37020768e+01
			5.33484645e+01 5.29974006e+01 5.26488637e+01 5.23028329e+01 5.19592872e+01
			5.16182059e+01 5.12795684e+01 5.09433546e+01 5.06095444e+01 5.02781177e+01
			4.99490550e+01 4.96223367e+01 4.92979435e+01 4.89758563e+01 4.86560562e+01
			4.83385243e+01 4.80232421e+01 4.77101912e+01 4.73993534e+01 4.70907106e+01
			4.67842450e+01 4.64799389e+01 4.61777746e+01 4.58777349e+01 4.55798026e+01
			4.52839606e+01 4.49901921e+01 4.46984804e+01 4.44088088e+01 4.41211610e+01
			4.38355208e+01 4.35518721e+01 4.32701988e+01 4.29904854e+01 4.27127161e+01
			4.24368754e+01 4.21629480e+01 4.18909186e+01 4.16207723e+01 4.13524942e+01
			4.10860693e+01 4.08214831e+01 4.05587211e+01 4.02977690e+01 4.00386124e+01
			3.97812373e+01 3.95256297e+01 3.92717757e+01 3.90196617e+01 3.87692740e+01
			3.85205992e+01 3.82736240e+01 3.80283350e+01 3.77847192e+01 3.75427637e+01
			3.73024556e+01 3.70637820e+01 3.68267305e+01 3.65912884e+01 3.63574434e+01
			3.61251831e+01 3.58944955e+01 3.56653684e+01 3.54377899e+01 3.52117481e+01
			3.49872313e+01 3.47642278e+01 3.45427261e+01 3.43227148e+01 3.41041825e+01
			3.38871180e+01 3.36715102e+01 3.34573480e+01 3.32446205e+01 3.30333169e+01
			3.28234264e+01 3.26149385e+01 3.24078424e+01 3.22021278e+01 3.19977843e+01
			3.17948016e+01 3.15931696e+01 3.13928782e+01 3.11939172e+01 3.09962769e+01
			3.07999474e+01 3.06049189e+01 3.04111818e+01 3.02187264e+01 3.00275434e+01
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			9.70485238e-01 9.70985488e-01 9.71485738e-01 9.71985988e-01 9.72486238e-01
			9.72986488e-01 9.73486738e-01 9.73986988e-01 9.74487238e-01 9.74987488e-01
			9.75487738e-01 9.75987988e-01 9.76488238e-01 9.76988488e-01 9.77488738e-01
			9.77988988e-01 9.78489238e-01 9.78989488e-01 9.79489738e-01 9.79989988e-01
			9.80490238e-01 9.80990488e-01 9.81490738e-01 9.81990988e-01 9.82491238e-01
			9.82991487e-01 9.83491737e-01 9.83991987e-01 9.84492237e-01 9.84992487e-01
			9.85492737e-01 9.85992986e-01 9.86493236e-01 9.86993486e-01 9.87493736e-01
			9.87993985e-01 9.88494235e-01 9.88994484e-01 9.89494734e-01 9.89994983e-01
			9.90495233e-01 9.90995482e-01 9.91495731e-01 9.91995980e-01 9.92496229e-01
			9.92996478e-01 9.93496727e-01 9.93996975e-01 9.94497223e-01 9.94997470e-01
			9.95497717e-01 9.95997964e-01 9.96498209e-01 9.96998452e-01 9.97498693e-01
			9.97998929e-01 9.98499155e-01 9.98999358e-01 9.99499467e-01 9.99988108e-01
			1.00000000e+00
			1.00000000e+00
			1.00000000e+00
			0.00000000e+00
			0.00000000e+00
			0.00000000e+00
			0.00000000e+00
			0.00000000e+00
			0.00000000e+00
			0.00000000e+00
			0.00000000e+00
			0.00000000e+00

lammps/potentials/CdZnTe_v1.bop.tablea2b4a794d9a2lammm-master-deprecated

CdZnTe_v1.bop.tableView Options

lammps/potentials/CdZnTe_v1.bop.table
a2b4a794d9a2lammm-master-deprecated

CdZnTe_v1.bop.table
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