case,step,time_LJ,volume_LJ,native_PE_LJ,independent_PE_LJ,energy_abs_error,force_max_error,pressure_max_error,flow_pressure_max_error,frame_pair_distance_max_error,frame_orthogonality_error,normalized_strain_max_error,temperature_LJ,flow_Pxx_LJ,flow_Pyy_LJ,flow_Pzz_LJ,Hxx,Hyy,Hzz nvt-cpu,0,0.0,303.2456763800048,-1733.98222163273,-1733.982221632757,2.7057467377744615e-11,3.0640490145117383e-12,6.847855615887966e-13,3.240361130529834e-06,2.980779340688855e-06,5.730192402797485e-07,1.3382623928350992e-16,0.7000000000000007,-5.6490457074642,-5.63028166811469,-5.66072951280285,4.95129,4.95129,4.95129 nvt-cpu,100,0.1,303.24567637988065,-1570.36445175815,-1570.364451758168,1.7962520360015333e-11,4.201961001371046e-11,4.192202140984591e-13,1.208885243998703e-06,1.5897223759608892e-06,5.286109653567346e-07,3.378711696985778e-07,0.31924320973571657,-2.49866500140826,-2.31898322788679,-2.1628162938327,4.9612,4.94634,4.94634 nvt-cpu,200,0.2,303.24567637974275,-1539.86529079895,-1539.8652907989685,1.864464138634503e-11,4.594369329424808e-11,3.772537837676282e-13,1.8969799535639709e-06,3.488439774379515e-06,1.4115407431791738e-06,1.0969892962394884e-06,0.6600492876633693,-1.49713280571036,-0.976766978638641,-1.15188302067659,4.97113,4.9414,4.9414 npt-cpu,0,0.0,303.2456763800048,-1733.98222163273,-1733.982221632757,2.7057467377744615e-11,3.0640490145117383e-12,6.847855615887966e-13,3.240361130529834e-06,2.980779340688855e-06,5.730192402797485e-07,1.3382623928350992e-16,0.7000000000000007,-5.6490457074642,-5.63028166811469,-5.66072951280285,4.95129,4.95129,4.95129 npt-cpu,100,0.1,269.07577828369307,-1672.17247008892,-1672.17247008893,1.000444171950221e-11,6.215472581061476e-11,3.1530333899354446e-13,2.5797329785692824e-06,5.531044788398276e-06,2.0881766535918445e-06,1.3323670959852763e-06,0.3064004328190111,0.915421798972984,1.23041947417427,1.39778048052478,4.76739,4.7531,4.7531 npt-cpu,200,0.2,255.40015507694187,-1683.72736267686,-1683.72736267686,0.0,5.609734898825991e-11,4.305167333740201e-13,3.9309180426272405e-06,3.131237308551249e-06,8.582700090631334e-07,4.80564155776316e-07,0.8578422348276231,4.21708449910773,4.58363452186416,4.66527978106537,4.69459,4.66651,4.66651 nvt-p100,0,0.0,303.2456763800048,-1733.98211024329,-1733.982221632757,0.00011138946706523711,1.1973086095907046e-05,4.850910659826013e-07,2.7540024793992757e-06,2.980779340688855e-06,5.730192402797485e-07,1.3382623928350992e-16,0.7000000000000003,-5.64904618315919,-5.63028215640397,-5.6607299991615,4.95129,4.95129,4.95129 nvt-p100,100,0.1,303.24567637987957,-1570.36443873122,-1570.3644589951946,2.026397464760521e-05,0.00016244684869093362,1.1579500878156068e-06,1.4812715591894232e-06,1.589722316452935e-06,5.286109652699324e-07,3.378711696985778e-07,0.31924321899041896,-2.49866427473466,-2.31898270238877,-2.16281581004062,4.9612,4.94634,4.94634 nvt-p100,200,0.2,303.2456763797403,-1539.86529600254,-1539.8652990487942,3.0462542781606317e-06,0.00016867896577821284,3.0158864008922315e-07,1.9551320455946097e-06,3.488439674903532e-06,1.411540737406014e-06,1.0969892962394884e-06,0.6600492766392585,-1.49713302983434,-0.976767167420022,-1.15188289610597,4.97113,4.9414,4.9414 nvt-v100,0,0.0,303.2456763800048,-1733.98211024329,-1733.982221632757,0.00011138946706523711,1.1973086095907046e-05,4.850910659826013e-07,2.7540024793992757e-06,2.980779340688855e-06,5.730192402797485e-07,1.3382623928350992e-16,0.7000000000000003,-5.64904618315919,-5.63028215640397,-5.6607299991615,4.95129,4.95129,4.95129 nvt-v100,100,0.1,303.24567637987957,-1570.36443873122,-1570.3644589951946,2.026397464760521e-05,0.00016244684869093362,1.1579500878156068e-06,1.4812715591894232e-06,1.589722316452935e-06,5.286109652699324e-07,3.378711696985778e-07,0.31924321899041896,-2.49866427473466,-2.31898270238877,-2.16281581004062,4.9612,4.94634,4.94634 nvt-v100,200,0.2,303.2456763797403,-1539.86529600254,-1539.8652990487942,3.0462542781606317e-06,0.00016867896577821284,3.0158864008922315e-07,1.9551320455946097e-06,3.488439674903532e-06,1.411540737406014e-06,1.0969892962394884e-06,0.6600492766392585,-1.49713302983434,-0.976767167420022,-1.15188289610597,4.97113,4.9414,4.9414