INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.681259925584659,0.40549209578883416,0.8638052826280596,101.0606068546641,0.7179747678115138,0.13423575089309048,0.17973733153414506,0.10546180385191573,0.49554502020254865,0.8293332810686724,0.07491811480758348,0.6832690455356079,0.6804840007954462,0.5052315820771325 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.00024000681457385655 eV/angstrom. Unless the Test Driver you are running provides minimization, you may wish to relax the configuration. INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.681259925584659,0.40549209578883416,0.8638052826280596,101.0606068546641,0.7179747678115138,0.13423575089309048,0.17973733153414506,0.10546180385191573,0.49554502020254865,0.8293332810686724,0.07491811480758348,0.6832690455356079,0.6804840007954462,0.5052315820771325 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042913259647075225 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7668,0.46944579,1.157453,78.9547,0.86577576,0.71813602,0.89432827,0.17953613,0.1707409,0.4956222,0.316779,0.074664545,0.494744,0.6805117 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.67480e+00 -2.70720e+00 -7.84458e-04] (Cartesian), [-9.99999533e-01 -9.99997053e-01 -1.74161714e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.67480508500277,0.40558607254599,0.8639598297094815,101.0453061005559,0.7181364819859475,0.13422249948358056,0.17953659807530675,0.10566998666280547,0.49562266863348325,0.8292573599523516,0.07466501143609694,0.6832192599021116,0.6805121642052379,0.5052542550192562 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.97949748e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.67480508500277,0.40558607254599,0.8639598297094815,101.0453061005559,0.7181364819859475,0.13422249948358056,0.17953659807530675,0.10566998666280547,0.49562266863348325,0.8292573599523516,0.07466501143609694,0.6832192599021116,0.6805121642052379,0.5052542550192562 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004291620025589459 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7662,0.46945996,1.1574347,78.9565,0.8657768,0.71815543,0.8943031,0.17951171,0.17074963,0.49563144,0.31678481,0.074633592,0.49474088,0.68051469 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.56872 -1.35351 -5.66014] (Cartesian), [-0.99999519 -0.50001013 -0.99999629] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.674022720892069,0.40559723387577207,0.863978929322639,101.04346326011785,0.281849378990358,0.8657805027706709,0.8204930908089259,0.8943068022420055,0.5043733617867883,0.1707533336082876,0.9253712130299063,0.31678851146714937,0.3194901101232477,0.49474458159863843 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.63982458e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.674022720892069,0.40559723387577207,0.863978929322639,101.04346326011785,0.281849378990358,0.8657805027706709,0.8204930908089259,0.8943068022420055,0.5043733617867883,0.1707533336082876,0.9253712130299063,0.31678851146714937,0.3194901101232477,0.49474458159863843 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042919471320293605 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7656,0.46945678,1.1573991,78.9586,0.86577842,0.71817717,0.89427409,0.17948443,0.17075941,0.49564131,0.31679123,0.074599519,0.49473723,0.68051809 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.67308e+00 -5.71256e-07 -9.67488e-04] (Cartesian), [-9.99990837e-01 -2.11052751e-07 5.86825468e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.673140567537227,0.4056107762679486,0.8640003329477217,101.04140911481534,0.7181863289957773,0.13422216711972568,0.17949359417891841,0.10572650066950207,0.49565047179093114,0.8292411761444272,0.0746086819594447,0.6832093617722139,0.6805272542085108,0.5052633569966631 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.0000000e+00 0.0000000e+00 9.5226495e-19] [0.0000000e+00 1.0000000e+00 0.0000000e+00] [0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.673140567537227,0.4056107762679486,0.8640003329477217,101.04140911481534,0.7181863289957773,0.13422216711972568,0.17949359417891841,0.10572650066950207,0.49565047179093114,0.8292411761444272,0.0746086819594447,0.6832093617722139,0.6805272542085108,0.5052633569966631 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00429231437245355 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7649,0.46946174,1.1573835,78.9609,0.86578005,0.71820151,0.894242,0.17945393,0.17077033,0.49565257,0.31679853,0.07456123,0.49473327,0.68052176 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.10477e+00 -9.31127e-07 -5.65805e+00] (Cartesian), [-1.21708522e-06 -3.44046810e-07 -9.99999211e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6721558025646805,0.40562545907241115,0.8640241725033051,101.03909920657786,0.7182002886499923,0.1342207427881057,0.17945270833022708,0.10575879208120265,0.49565134889104057,0.8292304555246914,0.07456001318083372,0.6832022602846497,0.6805205399987702,0.5052675181479054 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -7.08151831e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6721558025646805,0.40562545907241115,0.8640241725033051,101.03909920657786,0.7182002886499923,0.1342207427881057,0.17945270833022708,0.10575879208120265,0.49565134889104057,0.8292304555246914,0.07456001318083372,0.6832022602846497,0.6805205399987702,0.5052675181479054 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004292725005177132 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7641,0.46947485,1.1573533,78.9635,0.86578186,0.71822875,0.89420609,0.17941986,0.17078255,0.49566512,0.31680676,0.074518433,0.49472884,0.68052583 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.10447e+00 -1.03331e-05 -5.65728e+00] (Cartesian), [-1.16225659e-06 -3.81850556e-06 -9.99992506e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.671053117109322,0.4056418983331127,0.8640508705743432,101.03651742558537,0.7182275901188562,0.13422563311311864,0.17941869536369448,0.10580140514356429,0.4956639615649323,0.8292249394857718,0.07451727080343717,0.6832007353116043,0.6805246666451801,0.5052786512585954 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 7.81933179e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.671053117109322,0.4056418983331127,0.8640508705743432,101.03651742558537,0.7182275901188562,0.13422563311311864,0.17941869536369448,0.10580140514356429,0.4956639615649323,0.8292249394857718,0.07451727080343717,0.6832007353116043,0.6805246666451801,0.5052786512585954 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004293184426562405 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7633,0.46947062,1.1572884,78.9664,0.86578403,0.71825928,0.89416592,0.17938179,0.17079617,0.4956791,0.31681604,0.074470822,0.49472392,0.68053021 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.66979e+00 -4.47070e-06 -1.37311e-03] (Cartesian), [-9.99996175e-01 -1.65233748e-06 -1.90569326e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.669817757140626,0.40566058023935536,0.8640809495224334,101.03363150907724,0.718263102475786,0.13421405984855594,0.17938561741036363,0.10583217901885389,0.495682926509148,0.8292019267048354,0.07447464752492183,0.6831820540944094,0.6805340311969454,0.5052741701133066 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.33287118e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.669817757140626,0.40566058023935536,0.8640809495224334,101.03363150907724,0.718263102475786,0.13421405984855594,0.17938561741036363,0.10583217901885389,0.495682926509148,0.8292019267048354,0.07447464752492183,0.6831820540944094,0.6805340311969454,0.5052741701133066 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004293697696823741 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7623,0.46948267,1.1572462,78.9696,0.86578648,0.71829343,0.89412099,0.17933933,0.17081138,0.49569467,0.31682651,0.074417692,0.49471843,0.68053503 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.66839e+00 -9.76535e-06 -1.52241e-03] (Cartesian), [-9.99993200e-01 -3.60976270e-06 3.13467922e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6684351761873355,0.405681521443392,0.8641146438798858,101.03040967748593,0.7183002295515972,0.13421383608855697,0.17934613194025317,0.10587932056564608,0.49570146592516373,0.8291889348387533,0.07442449224716796,0.6831738044583155,0.6805418321249441,0.5052818820217027 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.24369929e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6684351761873355,0.405681521443392,0.8641146438798858,101.03040967748593,0.7183002295515972,0.13421383608855697,0.17934613194025317,0.10587932056564608,0.49570146592516373,0.8291889348387533,0.07442449224716796,0.6831738044583155,0.6805418321249441,0.5052818820217027 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004294271170477495 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7612,0.46948552,1.1572068,78.9732,0.86578927,0.71833166,0.89407084,0.17929199,0.1708283,0.49571198,0.3168383,0.07435851,0.49471232,0.68054031 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.10338e+00 -2.41065e-06 -5.65455e+00] (Cartesian), [-6.15939999e-08 -8.91252075e-07 -9.99998097e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.666887811820564,0.40570509232439333,0.8641524401862347,101.02681314567211,0.7183316010735077,0.13421263296846764,0.1792919272365634,0.10593106083589232,0.49571191744397813,0.8291735983754429,0.07435844838492067,0.6831635982369928,0.6805402441544754,0.5052895834292652 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -4.18294328e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.666887811820564,0.40570509232439333,0.8641524401862347,101.02681314567211,0.7183316010735077,0.13421263296846764,0.1792919272365634,0.10593106083589232,0.49571191744397813,0.8291735983754429,0.07435844838492067,0.6831635982369928,0.6805402441544754,0.5052895834292652 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004294911070180251 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.76,0.46949653,1.1571528,78.9772,0.86579249,0.71837439,0.89401474,0.17923923,0.17084725,0.49573119,0.31685167,0.074292654,0.49470548,0.680546 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.63040e-05 -1.35216e+00 -3.55925e-06] (Cartesian), [-2.55019163e-06 -5.00010081e-01 -6.28715596e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6651567284852895,0.40573171636322497,0.8641949262066098,101.02279840430892,0.2816230577518499,0.8657918661377679,0.820758220478724,0.8940141090640639,0.5042662590529638,0.1708466234148287,0.9257047960818947,0.3168510458364353,0.3194514532949284,0.49470485537612685 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.66110174e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6651567284852895,0.40573171636322497,0.8641949262066098,101.02279840430892,0.2816230577518499,0.8657918661377679,0.820758220478724,0.8940141090640639,0.5042662590529638,0.1708466234148287,0.9257047960818947,0.3168510458364353,0.3194514532949284,0.49470485537612685 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00429562527933012 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7586,0.46950648,1.1570868,78.9817,0.86579622,0.71842218,0.89395209,0.1791805,0.17086831,0.49575251,0.31686674,0.074219465,0.49469793,0.68055215 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.56079e+00 -5.06986e-06 -5.65421e+00] (Cartesian), [-9.99996085e-01 -1.87517032e-06 -9.99990752e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.663220890301495,0.40576168504837956,0.8642425468695785,101.01832721652963,0.7184260951882409,0.134213023140894,0.17918441527759343,0.10605715812850791,0.4957564282575626,0.8291409344936991,0.0742233800795633,0.6831425032826899,0.6805560664750341,0.5053113151532598 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -6.18937923e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.663220890301495,0.40576168504837956,0.8642425468695785,101.01832721652963,0.7184260951882409,0.134213023140894,0.17918441527759343,0.10605715812850791,0.4957564282575626,0.8291409344936991,0.0742233800795633,0.6831425032826899,0.6805560664750341,0.5053113151532598 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042964214553724185 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7571,0.46950722,1.1570235,78.9867,0.86580054,0.71847559,0.89388217,0.17911518,0.17089174,0.49577612,0.31688379,0.074138208,0.49468955,0.68055874 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.10183 -2.70299 -5.65067] (Cartesian), [-1.37193457e-06 -9.99986366e-01 -9.99994470e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.661056946005104,0.40579548791252523,0.8642960085809768,101.0133474976539,0.7184742176091641,0.13420498968803374,0.17911380778518304,0.10612336081937457,0.49577474863505056,0.8291137943812541,0.07413683582413455,0.6831217360310018,0.6805573698355714,0.5053159793995063 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -3.4809587e-17] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.661056946005104,0.40579548791252523,0.8642960085809768,101.0133474976539,0.7184742176091641,0.13420498968803374,0.17911380778518304,0.10612336081937457,0.49577474863505056,0.8291137943812541,0.07413683582413455,0.6831217360310018,0.6805573698355714,0.5053159793995063 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004297308811105158 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7554,0.46952427,1.1569309,78.9922,0.8658056,0.71853523,0.89380409,0.1790425,0.17091771,0.49580229,0.31690308,0.074048201,0.49468039,0.68056556 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.55738e+00 -9.77321e-08 -5.65171e+00] (Cartesian), [-9.99991428e-01 -3.61662712e-08 -9.99991606e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6586389325062605,0.40583362756572683,0.8643560871380517,101.00780872206977,0.7185438022138639,0.13420279347965902,0.17905107626466354,0.10620430822347382,0.4958108606700866,0.8290906842385262,0.07405677303551284,0.6831053098141111,0.6805741354394963,0.5053279993007829 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -6.02869053e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6586389325062605,0.40583362756572683,0.8643560871380517,101.00780872206977,0.7185438022138639,0.13420279347965902,0.17905107626466354,0.10620430822347382,0.4958108606700866,0.8290906842385262,0.07405677303551284,0.6831053098141111,0.6805741354394963,0.5053279993007829 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004298296302783294 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7535,0.46954028,1.1568437,78.9984,0.86581138,0.71860186,0.89371724,0.17896195,0.17094661,0.49583111,0.31692492,0.073948365,0.49467011,0.680573 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.55539e+00 -2.38457e-06 -5.65022e+00] (Cartesian), [-9.99991543e-01 -8.82686810e-07 -9.99989241e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.655938203930654,0.40587673441664923,0.8644235110572964,101.00164318395855,0.7186103186418848,0.13419937894884493,0.17897040602715064,0.10629351591851588,0.4958395693794533,0.8290641536124743,0.07395682131809811,0.6830858400190676,0.6805814529595129,0.5053406491021943 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 4.28022754e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.655938203930654,0.40587673441664923,0.8644235110572964,101.00164318395855,0.7186103186418848,0.13419937894884493,0.17897040602715064,0.10629351591851588,0.4958395693794533,0.8290641536124743,0.07395682131809811,0.6830858400190676,0.6805814529595129,0.5053406491021943 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004299394510019082 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7514,0.46955524,1.1567444,79.0052,0.8658181,0.71867622,0.89362055,0.17887265,0.17097864,0.49586287,0.31694966,0.073837976,0.49465874,0.68058078 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.55318 -1.3503 -5.64857] (Cartesian), [-0.99999404 -0.50000169 -0.99998895] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.65292372809028,0.4059254214979772,0.8644992093537764,100.99479102813943,0.28132974532746746,0.8658291564749003,0.8211333137843924,0.8936316089410177,0.5041430886357074,0.17098969567341094,0.9261679855575895,0.3169607151031708,0.31942518678362486,0.4946697959883104 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.64212219e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.65292372809028,0.4059254214979772,0.8644992093537764,100.99479102813943,0.28132974532746746,0.8658291564749003,0.8211333137843924,0.8936316089410177,0.5041430886357074,0.17098969567341094,0.9261679855575895,0.3169607151031708,0.31942518678362486,0.4946697959883104 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004300614681739797 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7491,0.46956915,1.1566332,79.0128,0.86582595,0.71875915,0.89351298,0.17877378,0.17101411,0.49589778,0.31697771,0.073716103,0.49464622,0.68058882 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.09883 -1.3498 -5.64311] (Cartesian), [-1.18244288e-06 -5.00001510e-01 -9.99998814e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.649560670332899,0.40598048192552416,0.8645842538158548,100.98718526162067,0.281239664281161,0.8658271320131274,0.8212250367181397,0.8935141677900806,0.5041010349166601,0.17101529283631622,0.9262827147981558,0.3169788992942053,0.31941000076465986,0.4946474029466157 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.53289328e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.649560670332899,0.40598048192552416,0.8645842538158548,100.98718526162067,0.281239664281161,0.8658271320131274,0.8212250367181397,0.8935141677900806,0.5041010349166601,0.17101529283631622,0.9262827147981558,0.3169788992942053,0.31941000076465986,0.4946474029466157 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004301968569060688 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7465,0.46959019,1.1564953,79.0212,0.86583512,0.7188516,0.89339342,0.17866449,0.17105333,0.49593605,0.31700953,0.073581762,0.49463242,0.68059701 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.54793e+00 -4.18422e-06 -5.64474e+00] (Cartesian), [-9.99997673e-01 -1.55058214e-06 -9.99999376e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.64581132175906,0.4060427176313244,0.8646798459032712,100.97875009650922,0.718853922453536,0.13416550639688007,0.17866681465149536,0.106607203813196,0.49593837263955143,0.8289472952458268,0.07358408921303461,0.6829910918241224,0.6805993400420447,0.5053682032648572 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.04615109e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.64581132175906,0.4060427176313244,0.8646798459032712,100.97875009650922,0.718853922453536,0.13416550639688007,0.17866681465149536,0.106607203813196,0.49593837263955143,0.8289472952458268,0.07358408921303461,0.6829910918241224,0.6805993400420447,0.5053682032648572 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004303470142278612 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7436,0.46961836,1.1563479,79.0306,0.86584588,0.71895463,0.89326065,0.17854384,0.17109655,0.4959779,0.31704569,0.073434112,0.49461737,0.68060515 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.54481 -1.34866 -5.64246] (Cartesian), [-0.99999441 -0.50001184 -1.00000013] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.641633072762761,0.40611339468054797,0.8647873856880022,100.96941490047017,0.2810509640269703,0.8658457581062624,0.8214617550036825,0.8932605219001011,0.5040276965247572,0.1710964188977444,0.9265714803031879,0.31704556285771623,0.3194004394585521,0.49461724096113313 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 2.9403096e-17] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.641633072762761,0.40611339468054797,0.8647873856880022,100.96941490047017,0.2810509640269703,0.8658457581062624,0.8214617550036825,0.8932605219001011,0.5040276965247572,0.1710964188977444,0.9265714803031879,0.31704556285771623,0.3194004394585521,0.49461724096113313 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004305132200466503 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7404,0.46963626,1.1561912,79.0409,0.86585856,0.71906934,0.89311335,0.1784109,0.17114416,0.49602348,0.31708676,0.073272064,0.49460088,0.68061306 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.24670e-06 -4.17457e-07 -7.74861e-06] (Cartesian), [-1.16801825e-06 -1.54848941e-07 -1.37407188e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.636981048309226,0.4061934631802466,0.8649083918303779,100.95908720294901,0.7190681669937584,0.1341400695756052,0.17840972889866058,0.10688527475318965,0.49602230931271896,0.8288544709262089,0.07327089597703762,0.6829118697205887,0.6806118878556124,0.5053977439004744 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.98456962e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.636981048309226,0.4061934631802466,0.8649083918303779,100.95908720294901,0.7190681669937584,0.1341400695756052,0.17840972889866058,0.10688527475318965,0.49602230931271896,0.8288544709262089,0.07327089597703762,0.6829118697205887,0.6806118878556124,0.5053977439004744 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004306969881851544 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7368,0.4696695,1.1560103,79.0523,0.86587351,0.71919699,0.89295011,0.17826465,0.17119645,0.49607297,0.31713345,0.073094705,0.49458296,0.68062041 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.53754e+00 -3.08741e-07 -5.63708e+00] (Cartesian), [-9.99998818e-01 -1.14586232e-07 -9.99998044e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.631804723657318,0.4062843923956264,0.8650447405566505,100.94767798024357,0.7191981684151687,0.13412844973330929,0.17826583618827518,0.10705184140087876,0.4960741499447985,0.8288055062537842,0.0730958865713407,0.68286850136937,0.6806215918842704,0.5054189933331008 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.05868278e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.631804723657318,0.4062843923956264,0.8650447405566505,100.94767798024357,0.7191981684151687,0.13412844973330929,0.17826583618827518,0.10705184140087876,0.4960741499447985,0.8288055062537842,0.0730958865713407,0.68286850136937,0.6806215918842704,0.5054189933331008 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043089987427255665 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7328,0.46970067,1.1558052,79.0649,0.8658912,0.71933896,0.89276938,0.17810407,0.17125375,0.49612647,0.31718659,0.072901124,0.49456358,0.68062683 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.5332 -1.34634 -5.63388] (Cartesian), [-0.99998885 -0.49998781 -0.99998725] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.626049309018589,0.4063878064263376,0.8651984983475918,100.93509059483257,0.2806721906018852,0.8659039459393121,0.8219070763199015,0.8927821294376983,0.5038846728612041,0.17126649731399146,0.9271100228966334,0.31719933690754765,0.3193843116697921,0.4945763256453195 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.43614781e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.626049309018589,0.4063878064263376,0.8651984983475918,100.93509059483257,0.2806721906018852,0.8659039459393121,0.8219070763199015,0.8927821294376983,0.5038846728612041,0.17126649731399146,0.9271100228966334,0.31719933690754765,0.3193843116697921,0.4945763256453195 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004311235204346851 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7285,0.46973902,1.155573,79.0788,0.86591217,0.71949676,0.89256952,0.17792811,0.17131634,0.49618405,0.31724709,0.072690417,0.49454276,0.68063183 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.62552e-05 -2.69089e+00 -1.57943e-05] (Cartesian), [-2.91796619e-06 -9.99986327e-01 -2.80500990e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.619654916591101,0.40650559993403623,0.8653721409931702,100.92122333084075,0.71949384662503,0.13408502281627133,0.17792518888431497,0.10742767558033961,0.4961811323661389,0.8286808595332067,0.07268749855319023,0.682750104505975,0.6806289100773038,0.5054544348059218 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.13567726e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.619654916591101,0.40650559993403623,0.8653721409931702,100.92122333084075,0.71949384662503,0.13408502281627133,0.17792518888431497,0.10742767558033961,0.4961811323661389,0.8286808595332067,0.07268749855319023,0.682750104505975,0.6806289100773038,0.5054544348059218 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043136960725209525 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7236,0.46979174,1.1553218,79.094,0.86593722,0.71967207,0.89234866,0.17773564,0.17138449,0.49624563,0.317316,0.072461928,0.49452048,0.68063482 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.08935 -2.68889 -5.61897] (Cartesian), [-1.90360873e-06 -9.99985059e-01 -9.99995420e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.612555408097937,0.40664009745713253,0.8655686656258563,100.90596526162534,0.7196701680074673,0.13406736105458839,0.17773373150497096,0.10765592384838252,0.49624372478235834,0.8286200876077938,0.07246002392132733,0.6826885830825731,0.6806329115458243,0.5054841000045247 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.02680868e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.612555408097937,0.40664009745713253,0.8655686656258563,100.90596526162534,0.7196701680074673,0.13406736105458839,0.17773373150497096,0.10765592384838252,0.49624372478235834,0.8286200876077938,0.07246002392132733,0.6826885830825731,0.6806329115458243,0.5054841000045247 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043163993087873016 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7183,0.46984244,1.1550111,79.1108,0.8659671,0.71986678,0.89210492,0.1775256,0.17145841,0.49631108,0.31739457,0.072214908,0.49449695,0.68063497 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.83975e-06 -1.34334e+00 -1.00672e-05] (Cartesian), [-1.33050423e-06 -4.99988180e-01 -1.79125926e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6046789196548525,0.4067939631449983,0.8657915531309731,100.88919214923422,0.28013188478937967,0.8659653063141155,0.8224730668471918,0.8921031254969978,0.5036875914841237,0.17145662172657827,0.9277837619104967,0.31739277647512343,0.3193637032568035,0.49449515568979985 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.80825797e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.6046789196548525,0.4067939631449983,0.8657915531309731,100.88919214923422,0.28013188478937967,0.8659653063141155,0.8224730668471918,0.8921031254969978,0.5036875914841237,0.17145662172657827,0.9277837619104967,0.31739277647512343,0.3193637032568035,0.49449515568979985 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004319363795716075 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7124,0.46992508,1.1546635,79.1292,0.86600292,0.72008302,0.89183613,0.17729687,0.17153827,0.4963801,0.31748416,0.071948964,0.49447233,0.68063138 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.59587e+00 -1.11887e-05 -9.26838e-03] (Cartesian), [-9.99989319e-01 -4.16811445e-06 6.88665695e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.595946218210092,0.40697046086722366,0.8660450006037724,100.8707807601075,0.7200936991515854,0.13399776959476206,0.1773075542937903,0.10816455810907466,0.49639077685223887,0.828462417562601,0.07195964493958162,0.6825165289416486,0.6806420632811427,0.5055283624706437 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.36177766e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.595946218210092,0.40697046086722366,0.8660450006037724,100.8707807601075,0.7200936991515854,0.13399776959476206,0.1773075542937903,0.10816455810907466,0.49639077685223887,0.828462417562601,0.07195964493958162,0.6825165289416486,0.6806420632811427,0.5055283624706437 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004322606938361862 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7059,0.47000473,1.1542964,79.1494,0.86604588,0.72032311,0.89154009,0.17704828,0.17162412,0.49645215,0.31758638,0.071663824,0.4944469,0.68062299 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.0828 -1.34091 -5.60221] (Cartesian), [-1.38981056e-06 -5.00012026e-01 -9.99997145e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.586268071261781,0.40717375432942476,0.8663344339134962,100.85056035018468,0.27967549706241224,0.866048734418472,0.8229503265421916,0.8915429451007801,0.5035464556179718,0.17162697268718885,0.9283347858211219,0.3175892328666903,0.31937561525928304,0.49444975091842336 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.45072452e-18] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.586268071261781,0.40717375432942476,0.8663344339134962,100.85056035018468,0.27967549706241224,0.866048734418472,0.8229503265421916,0.8915429451007801,0.5035464556179718,0.17162697268718885,0.9283347858211219,0.3175892328666903,0.31937561525928304,0.49444975091842336 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004326153498123633 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6988,0.47008142,1.153857,79.1716,0.86609802,0.72058992,0.89121361,0.1767787,0.17171581,0.49652665,0.31770308,0.071359665,0.49442135,0.68060795 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.01213e-05 -2.67889e+00 -1.81870e-06] (Cartesian), [-3.11238973e-06 -9.99983607e-01 -3.18787539e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.575550990171001,0.4074082794608176,0.8666654805568225,100.82844589358014,0.7205868041339736,0.1339016588164048,0.17677558617142974,0.1087860736153341,0.49652354245559804,0.8282838695124202,0.07135655282685649,0.6822965972428565,0.6806048359555279,0.5055783320106826 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.0000000e+00 0.0000000e+00 2.6189946e-17] [0.0000000e+00 1.0000000e+00 0.0000000e+00] [0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.575550990171001,0.4074082794608176,0.8666654805568225,100.82844589358014,0.7205868041339736,0.1339016588164048,0.17677558617142974,0.1087860736153341,0.49652354245559804,0.8282838695124202,0.07135655282685649,0.6822965972428565,0.6806048359555279,0.5055783320106826 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004330019211728691 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.691,0.47019856,1.1533474,79.1958,0.86616108,0.72088658,0.89085418,0.17648685,0.17181313,0.49660235,0.31783638,0.071036803,0.49439616,0.68058485 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.07728e+00 -3.56228e-06 -5.58810e+00] (Cartesian), [-2.96758700e-08 -1.33125265e-06 -9.99995253e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.5636802878632405,0.4076806971826429,0.867047013763612,100.80418319551508,0.7208865503524913,0.13384366928055025,0.17648682412773087,0.1091505702513349,0.4966023164292992,0.8281916180229019,0.07103677349750037,0.682168368204568,0.6805848220383655,0.5056085840166582 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.72571563e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.5636802878632405,0.4076806971826429,0.867047013763612,100.80418319551508,0.7208865503524913,0.13384366928055025,0.17648682412773087,0.1091505702513349,0.4966023164292992,0.8281916180229019,0.07103677349750037,0.682168368204568,0.6805848220383655,0.5056085840166582 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004334226995471086 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6825,0.47032116,1.1527497,79.2224,0.86623786,0.72121696,0.89045808,0.17617143,0.17191554,0.49667774,0.31798873,0.070696121,0.49437234,0.68055144 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.47637 -2.6726 -5.59355] (Cartesian), [-0.9999935 -0.99999686 -0.99999648] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.55053122146578,0.40799872548160143,0.8674890431145036,100.777575517681,0.7212234626790905,0.13376566205492235,0.17617793155081696,0.10954544824286172,0.49668424779919595,0.8280879853504897,0.07070262450717513,0.6820147892516184,0.6805579451122181,0.5056311819117654 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -6.36216059e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.55053122146578,0.40799872548160143,0.8674890431145036,100.777575517681,0.7212234626790905,0.13376566205492235,0.17617793155081696,0.10954544824286172,0.49668424779919595,0.8280879853504897,0.07070262450717513,0.6820147892516184,0.6805579451122181,0.5056311819117654 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004338800223906786 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6732,0.47047522,1.1520835,79.2516,0.86633181,0.72158591,0.890021,0.17583103,0.17202208,0.49675067,0.31816311,0.070338915,0.49435135,0.68050476 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.0706 -2.6691 -5.57125] (Cartesian), [-1.55996091e-06 -9.99997956e-01 -9.99989748e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.5359558381073,0.40837262683830755,0.86800518479865,100.74836966193497,0.7215843509024511,0.13367844056467182,0.17582946726074855,0.10998925510481428,0.4967491102707675,0.8279881724828846,0.07033735456312584,0.6818471397211749,0.6805032027251929,0.5056589030849712 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.08421583e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.5359558381073,0.40837262683830755,0.86800518479865,100.74836966193497,0.7215843509024511,0.13367844056467182,0.17582946726074855,0.10998925510481428,0.4967491102707675,0.8279881724828846,0.07033735456312584,0.6818471397211749,0.6805032027251929,0.5056589030849712 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004343765213079175 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6632,0.47065263,1.1512572,79.2838,0.86644769,0.72199933,0.88953752,0.1754633,0.17213126,0.49681832,0.31836336,0.069967961,0.49433507,0.68044084 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.87015e-06 -2.70362e-06 -1.51269e-05] (Cartesian), [-1.65136429e-06 -1.01434344e-06 -2.71500895e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.519777386983727,0.40881597660825,0.8686132830696952,100.71623108903829,0.7219976791378151,0.13354959345152895,0.17546164794903385,0.11045976261642543,0.4968166640921883,0.8278660216688354,0.06996630985541352,0.6816339297251477,0.6804391925019218,0.505662217217751 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.26568842e-16] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.519777386983727,0.40881597660825,0.8686132830696952,100.71623108903829,0.7219976791378151,0.13354959345152895,0.17546164794903385,0.11045976261642543,0.4968166640921883,0.8278660216688354,0.06996630985541352,0.6816339297251477,0.6804391925019218,0.505662217217751 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004349151299337067 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6522,0.4708786,1.1503132,79.3193,0.86659155,0.72246545,0.88900073,0.17506653,0.17224112,0.4968762,0.31859341,0.069585576,0.49432605,0.6803558 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.06256e+00 -3.49372e-06 -5.55141e+00] (Cartesian), [-4.91123113e-07 -1.31269521e-06 -9.99990109e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.501772966739073,0.40934773663440804,0.8693383743022552,100.68071260722328,0.722464954343778,0.13341833763326583,0.17506603530884646,0.11100916178102382,0.49687570730894404,0.8277687713805637,0.06958508484139903,0.6814164792860318,0.6803553084850529,0.5056838433274844 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.95815878e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.501772966739073,0.40934773663440804,0.8693383743022552,100.68071260722328,0.722464954343778,0.13341833763326583,0.17506603530884646,0.11100916178102382,0.49687570730894404,0.8277687713805637,0.06958508484139903,0.6814164792860318,0.6803553084850529,0.5056838433274844 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004354996825523653 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6404,0.4711368,1.1491561,79.3588,0.86677229,0.72299537,0.88840079,0.17463696,0.17234811,0.49691823,0.31885956,0.069196962,0.49432819,0.68024246 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.0579 -1.32869 -5.54029] (Cartesian), [-1.13532316e-06 -4.99987852e-01 -9.99992053e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.481653234636751,0.4099948687134205,0.8702152053471536,100.64116269981082,0.27700349241565236,0.8667802386770869,0.8253619035814463,0.8884087365896027,0.5030806324811223,0.17235605297463152,0.9308019022271545,0.3188675043454632,0.31975640618523515,0.4943361373203894 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.93796674e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.481653234636751,0.4099948687134205,0.8702152053471536,100.64116269981082,0.27700349241565236,0.8667802386770869,0.8253619035814463,0.8884087365896027,0.5030806324811223,0.17235605297463152,0.9308019022271545,0.3188675043454632,0.31975640618523515,0.4943361373203894 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004361352946367073 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6277,0.47147147,1.1477158,79.4032,0.86700264,0.7236059,0.88772447,0.17416957,0.17244702,0.49693511,0.3191697,0.068808198,0.49434692,0.68009195 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.40622 -1.32664 -5.54917] (Cartesian), [-0.99999812 -0.49998734 -0.99999247] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4590039174781815,0.41079819815965407,0.8713002104292469,100.59678385749324,0.2763959792566575,0.8670101633267167,0.8258323143352047,0.8877320021907766,0.5030667733358896,0.1724545442863583,0.931193684584525,0.31917722861978337,0.31990993041470683,0.4943544531725981 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.97069404e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4590039174781815,0.41079819815965407,0.8713002104292469,100.59678385749324,0.2763959792566575,0.8670101633267167,0.8258323143352047,0.8877320021907766,0.5030667733358896,0.1724545442863583,0.931193684584525,0.31917722861978337,0.31990993041470683,0.4943544531725981 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004368300533328973 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6141,0.47190111,1.1459005,79.4537,0.86730298,0.7243244,0.88695036,0.17365549,0.17252893,0.49691156,0.31953608,0.0684291,0.49439103,0.67988967 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.04694 -2.64929 -5.5156 ] (Cartesian), [-5.98358464e-07 -9.99978767e-01 -9.99988744e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.43318237356302,0.4118251432064927,0.8726857817509696,100.54628696593507,0.7243237994113465,0.13270827112036443,0.17365489076379315,0.11306089296795996,0.496910964909534,0.827482326755991,0.06842850148008472,0.6804751757189957,0.6798890755536737,0.5056202257341296 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 7.06912109e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.43318237356302,0.4118251432064927,0.8726857817509696,100.54628696593507,0.7243237994113465,0.13270827112036443,0.17365489076379315,0.11306089296795996,0.496910964909534,0.827482326755991,0.06842850148008472,0.6804751757189957,0.6798890755536737,0.5056202257341296 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043759907342263695 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5997,0.4724896,1.1434541,79.513,0.86771061,0.72520154,0.88603775,0.17307713,0.17257665,0.4968188,0.31998121,0.068079162,0.4944761,0.67960803 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.36261e+00 -1.03873e-05 -5.52677e+00] (Cartesian), [-9.99989805e-01 -3.92601976e-06 -9.99997953e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.403049463142863,0.41320287762386176,0.8745365228745936,100.4869534946778,0.7252117326807557,0.13229143828798184,0.17308732614228672,0.11396429307945777,0.49682899594705754,0.8274254012756255,0.06808935709147024,0.6800208404511565,0.6796182215444446,0.5055259454230865 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.17351371e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.403049463142863,0.41320287762386176,0.8745365228745936,100.4869534946778,0.7252117326807557,0.13229143828798184,0.17308732614228672,0.11396429307945777,0.49682899594705754,0.8274254012756255,0.06808935709147024,0.6800208404511565,0.6796182215444446,0.5055259454230865 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004384770292629139 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5846,0.47331949,1.1399205,79.5864,0.86830837,0.72635577,0.8848999,0.17239131,0.17255038,0.49659127,0.32055344,0.067796721,0.49463606,0.67918654 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.94823e-06 -2.64329e+00 -1.24482e-06] (Cartesian), [-1.12736783e-06 -9.99983456e-01 -2.21333450e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.365984278340119,0.41522781328150205,0.8772564536237374,100.41363722647088,0.7263546446530653,0.13169141038998777,0.17239018757159963,0.11509988301171115,0.4965901467441851,0.8274493971234387,0.0677955931515335,0.679446333841395,0.6791854117512099,0.5053637184966795 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 8.20556813e-18] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.365984278340119,0.41522781328150205,0.8772564536237374,100.41363722647088,0.7263546446530653,0.13169141038998777,0.17239018757159963,0.11509988301171115,0.4965901467441851,0.8274493971234387,0.0677955931515335,0.679446333841395,0.6791854117512099,0.5053637184966795 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00439618287987686 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5699,0.47496364,1.1329647,79.695,0.86944653,0.72831018,0.88317079,0.17139535,0.17227447,0.49594018,0.32145974,0.067744543,0.49500868,0.67836081 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.31043 -2.6455 -0.0288876] (Cartesian), [-9.99998693e-01 -9.99994150e-01 -1.03202398e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.310505394170736,0.4192240256074824,0.8826346051843214,100.3049754173319,0.7283114832523854,0.13055243920185533,0.17139665877432497,0.11682817921072974,0.4959414837127696,0.8277244952501621,0.06774584975661968,0.678539224568574,0.6783621132851678,0.5049902841615066 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.55073254e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.310505394170736,0.4192240256074824,0.8826346051843214,100.3049754173319,0.7283114832523854,0.13055243920185533,0.17139665877432497,0.11682817921072974,0.4959414837127696,0.8277244952501621,0.06774584975661968,0.678539224568574,0.6783621132851678,0.5049902841615066 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00442272985544897 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6353,0.49789718,1.0217025,79.7873,0.88107219,0.75956764,0.87557128,0.15458909,0.16302791,0.48685555,0.33251354,0.075119386,0.4995294,0.66703395 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.75753 -1.4029 0.0274862] (Cartesian), [-9.99998532e-01 -5.00000401e-01 -2.27314738e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.757606332110459,0.4873201794622624,0.9787494533917941,100.21272526104022,0.24043382396578594,0.8810699146825587,0.8454123741521498,0.8755690085103038,0.5131459194461363,0.16302563894973776,0.9248820818771555,0.3325112667457433,0.33296751808832137,0.49952713099238144 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.78483864e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.757606332110459,0.4873201794622624,0.9787494533917941,100.21272526104022,0.24043382396578594,0.8810699146825587,0.8454123741521498,0.8755690085103038,0.5131459194461363,0.16302563894973776,0.9248820818771555,0.3325112667457433,0.33296751808832137,0.49952713099238144 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004428959041387322 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6143,0.49796056,1.0219974,79.8237,0.88143949,0.76011791,0.87469735,0.15437576,0.16326125,0.48704271,0.33331786,0.074994837,0.49943172,0.66686186 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.99803e-06 -9.63832e-06 -9.18705e-06] (Cartesian), [-1.50090721e-06 -3.44759917e-06 -1.66812436e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.73778291671705,0.48723722373036055,0.9784751485121251,100.17634366286467,0.7601164046203941,0.11855884465737399,0.1543742585985559,0.12530098216299823,0.4870412130441757,0.8367370843138939,0.07499333579955181,0.6666804685074257,0.6668603592804883,0.5005666134592439 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.37085752e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.73778291671705,0.48723722373036055,0.9784751485121251,100.17634366286467,0.7601164046203941,0.11855884465737399,0.1543742585985559,0.12530098216299823,0.4870412130441757,0.8367370843138939,0.07499333579955181,0.6666804685074257,0.6668603592804883,0.5005666134592439 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004435462801156714 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5916,0.49806853,1.0224086,79.8622,0.88181392,0.7606613,0.87377512,0.15418796,0.16350201,0.48722343,0.33414155,0.074876381,0.49934672,0.66668057 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.96184 -1.3925 -5.50824] (Cartesian), [-8.34940784e-07 -4.99999678e-01 -9.99992861e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.716876985273454,0.4871544028276517,0.9780913031764673,100.1378133005331,0.23933786009299185,0.8818210620312379,0.8458112068605779,0.8737822605212031,0.5127757396860089,0.1635091447234931,0.9251227845465715,0.334148687158331,0.3333185961332825,0.49935385983203506 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.28002861e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.716876985273454,0.4871544028276517,0.9780913031764673,100.1378133005331,0.23933786009299185,0.8818210620312379,0.8458112068605779,0.8737822605212031,0.5127757396860089,0.1635091447234931,0.9251227845465715,0.334148687158331,0.3333185961332825,0.49935385983203506 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004442218815573285 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5672,0.49825765,1.02292,79.9032,0.88219112,0.76119908,0.87280489,0.15402898,0.16374684,0.48739471,0.33498073,0.074764449,0.49928114,0.66648799 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.55849e-06 -1.38695e+00 -1.37249e-05] (Cartesian), [-1.39703885e-06 -4.99998944e-01 -2.50780639e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6947834610227615,0.4870959326094668,0.9775896348588533,100.09679896691614,0.23879952200684484,0.882188615612238,0.8459696226350588,0.8728023843805022,0.5126038967931925,0.1637443366812421,0.925234154226303,0.3349782174692333,0.33351061055711084,0.4992786364659938 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.18096698e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6947834610227615,0.4870959326094668,0.9775896348588533,100.09679896691614,0.23879952200684484,0.882188615612238,0.8459696226350588,0.8728023843805022,0.5126038967931925,0.1637443366812421,0.925234154226303,0.3349782174692333,0.33351061055711084,0.4992786364659938 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00444920691167323 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5408,0.49855617,1.0235706,79.9467,0.88257062,0.76173243,0.8717881,0.15390167,0.16399392,0.48755396,0.33583164,0.074658343,0.49923747,0.66628345 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.72171 -1.3812 -5.44052] (Cartesian), [-0.99998806 -0.50000024 -0.99999019] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.671444125204863,0.4870714817457996,0.9769709197385813,100.0533046799125,0.23827951264020797,0.8825804280384286,0.8461102702310037,0.8717979076425846,0.5124579753768259,0.16400373292174342,0.9253535974482059,0.33584144401205407,0.3337284857934433,0.4992472789279869 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.000000e+00 0.000000e+00 -1.367064e-17] [ 0.000000e+00 1.000000e+00 0.000000e+00] [ 0.000000e+00 0.000000e+00 -1.000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.671444125204863,0.4870714817457996,0.9769709197385813,100.0533046799125,0.23827951264020797,0.8825804280384286,0.8461102702310037,0.8717979076425846,0.5124579753768259,0.16400373292174342,0.9253535974482059,0.33584144401205407,0.3337284857934433,0.4992472789279869 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004456408800211423 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5126,0.49894786,1.0243442,79.9926,0.88295235,0.76226315,0.87072635,0.15380886,0.16424125,0.48769849,0.33669052,0.074556945,0.49921833,0.66606601 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.70378 -1.37525 -5.41578] (Cartesian), [-0.99999798 -0.49999819 -0.99999496] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.646801610791913,0.4870916576846992,0.9762372330933681,100.00736113576936,0.23773887525388182,0.8829573949354814,0.8461931656752539,0.8707313934975143,0.512303531554406,0.16424629399997404,0.9254450781622223,0.33669556125127853,0.33393601665413364,0.4992233680921556 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -5.5095919e-17] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.646801610791913,0.4870916576846992,0.9762372330933681,100.00736113576936,0.23773887525388182,0.8829573949354814,0.8461931656752539,0.8707313934975143,0.512303531554406,0.16424629399997404,0.9254450781622223,0.33669556125127853,0.33393601665413364,0.4992233680921556 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044638066099220225 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4825,0.49946192,1.0252257,80.0409,0.88333717,0.76279318,0.86962186,0.1537532,0.16448725,0.4878256,0.33755359,0.074458628,0.49922495,0.66583522 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.68481e+00 -1.07311e-05 -5.38932e+00] (Cartesian), [-9.99998869e-01 -3.91895275e-06 -9.99998903e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.620809351613662,0.4871641930028424,0.9753941474312238,99.95912980120353,0.7627943091654252,0.11666392379188562,0.15375433429166296,0.13037923384020633,0.48782673288813605,0.8355138496003642,0.07445975872532395,0.6624475100118699,0.6658363518214372,0.5007761482797819 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -2.1025962e-17] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.620809351613662,0.4871641930028424,0.9753941474312238,99.95912980120353,0.7627943091654252,0.11666392379188562,0.15375433429166296,0.13037923384020633,0.48782673288813605,0.8355138496003642,0.07445975872532395,0.6624475100118699,0.6658363518214372,0.5007761482797819 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004471384026306208 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4505,0.50006421,1.0262178,80.0911,0.88372664,0.76332459,0.86847709,0.1537371,0.16473059,0.48793271,0.33841713,0.074361246,0.499258,0.66559078 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.66476 -1.36279 -5.3611 ] (Cartesian), [-0.99999162 -0.4999874 -0.99999468] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.593430981589585,0.48729459974908274,0.9744503225191211,99.90889597516048,0.236683795247016,0.8837319628161304,0.8462712805801322,0.8684824163438067,0.5120756742000689,0.16473591753583472,0.9256471365883727,0.33842245352809597,0.3344176069005882,0.4992633243469573 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -7.93723192e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.593430981589585,0.48729459974908274,0.9744503225191211,99.90889597516048,0.236683795247016,0.8837319628161304,0.8462712805801322,0.8684824163438067,0.5120756742000689,0.16473591753583472,0.9256471365883727,0.33842245352809597,0.3344176069005882,0.4992633243469573 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00447912571019325 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4167,0.50080307,1.0273044,80.1429,0.88412294,0.76385955,0.86729498,0.15376264,0.16497037,0.48801742,0.33927745,0.074262131,0.49931736,0.66533264 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.64364e+00 -3.79202e-06 -5.33120e+00] (Cartesian), [-9.99988881e-01 -1.39788448e-06 -9.99994014e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.564640859718424,0.487486055180384,0.973417075951536,99.85706334077614,0.7638706710325014,0.11588304359191337,0.15377375565471496,0.1327110086005987,0.4880285380408822,0.8350356203194922,0.07427325006738017,0.6607285338990219,0.665343759230701,0.5006886216642521 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.90784285e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.564640859718424,0.487486055180384,0.973417075951536,99.85706334077614,0.7638706710325014,0.11588304359191337,0.15377375565471496,0.1327110086005987,0.4880285380408822,0.8350356203194922,0.07427325006738017,0.6607285338990219,0.665343759230701,0.5006886216642521 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004487016689380199 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3812,0.50163532,1.0284695,80.1959,0.88452824,0.7644001,0.86607864,0.15383165,0.16520586,0.4880775,0.34013088,0.074158307,0.49940271,0.66506087 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.53439e+00 -1.34971e+00 3.47096e-03] (Cartesian), [-9.99995308e-01 -5.00010202e-01 -2.02183609e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.534418910963678,0.48774134443582434,0.9723071348920791,99.80411938773894,0.23560459160272873,0.8845262199364563,0.8461730401734278,0.8660766178800516,0.511927188843105,0.16520383740040367,0.9258463857935813,0.3401288622524623,0.3349438175675865,0.4994006906829447 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.53601507e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.534418910963678,0.48774134443582434,0.9723071348920791,99.80411938773894,0.23560459160272873,0.8845262199364563,0.8461730401734278,0.8660766178800516,0.511927188843105,0.16520383740040367,0.9258463857935813,0.3401288622524623,0.3349438175675865,0.4994006906829447 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004495043241569158 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3439,0.50257303,1.0297348,80.2494,0.88494464,0.76494787,0.8648315,0.15394563,0.16543671,0.488111,0.34097381,0.074046386,0.49951346,0.66477568 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.904722 -1.34285 -5.26675 ] (Cartesian), [-2.68093320e-06 -5.00002597e-01 -9.99996699e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.502753891820856,0.4880621777369087,0.9711340621420841,99.75062357577859,0.23504944537548345,0.88494794353084,0.8460516904958739,0.8648347996636547,0.5118863237427851,0.16544001256436203,0.9259509329930662,0.34097710945665316,0.3352216397817096,0.49951675824700503 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.31397606e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.502753891820856,0.4880621777369087,0.9711340621420841,99.75062357577859,0.23504944537548345,0.88494794353084,0.8460516904958739,0.8648347996636547,0.5118863237427851,0.16544001256436203,0.9259509329930662,0.34097710945665316,0.3352216397817096,0.49951675824700503 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004503191039340241 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3051,0.50359088,1.0310079,80.3028,0.88537373,0.76550419,0.86355715,0.1541058,0.16566278,0.48811625,0.34180263,0.073922657,0.49964915,0.66447729 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.46958e+00 -1.33579e+00 -2.82698e-03] (Cartesian), [-9.99989231e-01 -4.99987172e-01 -6.50488885e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.469640213150207,0.4884505083040974,0.969910973242745,99.69718361653024,0.23450658192447316,0.8853730823468045,0.8459049649298485,0.8635564954830905,0.5118945169418947,0.16566213246930417,0.9260881120019642,0.3418019794853473,0.33553347693000646,0.49964850000937533 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -4.33809856e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.469640213150207,0.4884505083040974,0.969910973242745,99.69718361653024,0.23450658192447316,0.8853730823468045,0.8459049649298485,0.8635564954830905,0.5118945169418947,0.16566213246930417,0.9260881120019642,0.3418019794853473,0.33553347693000646,0.49964850000937533 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004511447066116164 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.2647,0.50473911,1.0323665,80.3556,0.88581672,0.76606996,0.86225929,0.15431309,0.16588415,0.48809182,0.34261388,0.073783199,0.49980942,0.66416593 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.55523e-06 -1.32866e+00 -5.58602e-06] (Cartesian), [-1.93351337e-06 -5.00011852e-01 -1.07424387e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4350770920550415,0.4889087987550675,0.9686502879701863,99.64444159170519,0.23392810554908205,0.8858156412241951,0.8456849738993064,0.8622582200525581,0.5119062488348829,0.16588308058581713,0.9262148669988415,0.34261280812865924,0.33583213179499705,0.49980834795672857 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 8.06028989e-19] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4350770920550415,0.4889087987550675,0.9686502879701863,99.64444159170519,0.23392810554908205,0.8858156412241951,0.8456849738993064,0.8622582200525581,0.5119062488348829,0.16588308058581713,0.9262148669988415,0.34261280812865924,0.33583213179499705,0.49980834795672857 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0045197979260329065 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.2229,0.50594497,1.033736,80.4069,0.88627427,0.76664575,0.8609417,0.15456813,0.16610114,0.48803649,0.34340423,0.073623937,0.49999403,0.6638418 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.02280e-05 -1.32124e+00 -1.44087e-05] (Cartesian), [-2.34932000e-06 -4.99992341e-01 -2.79462359e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.399070017693961,0.48943993503631217,0.9673628572676641,99.59307695752237,0.23335190224259872,0.8862714764371553,0.8454295193108878,0.8609389009055781,0.5119611620297781,0.16609834726366746,0.9263737132118102,0.34340143561971725,0.3361558516427072,0.49999123522426103 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.00227536e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.399070017693961,0.48943993503631217,0.9673628572676641,99.59307695752237,0.23335190224259872,0.8862714764371553,0.8454295193108878,0.8609389009055781,0.5119611620297781,0.16609834726366746,0.9263737132118102,0.34340143561971725,0.3361558516427072,0.49999123522426103 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004528231858741252 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.1796,0.50727855,1.0351378,80.4562,0.88674676,0.76723159,0.85960805,0.15487116,0.16631435,0.48794927,0.3441706,0.073440769,0.50020271,0.66350506 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.49159 -1.31376 -5.11775] (Cartesian), [-0.99999042 -0.50001316 -0.99998725] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3616319560214745,0.4900468486428153,0.96605769582438,99.54378625030407,0.23277799189744686,0.8867595092977676,0.8451384189930662,0.8596208001115317,0.5120603119818101,0.1663271029311839,0.9265688127430318,0.34418334497368575,0.33650451940803316,0.5002154623987907 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.98266722e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3616319560214745,0.4900468486428153,0.96605769582438,99.54378625030407,0.23277799189744686,0.8867595092977676,0.8451384189930662,0.8596208001115317,0.5120603119818101,0.1663271029311839,0.9265688127430318,0.34418334497368575,0.33650451940803316,0.5002154623987907 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004536737510954309 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.1351,0.50867559,1.0365524,80.5027,0.88723402,0.7678274,0.85826196,0.15522225,0.16652447,0.48782909,0.3449102,0.07322955,0.5004353,0.66315575 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.861026 -1.30606 -5.0624 ] (Cartesian), [-1.34619218e-06 -5.00009750e-01 -9.99999391e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.32277915986244,0.4907340672561278,0.9647413292865171,99.49730951804365,0.23217124889939367,0.8872346333587666,0.8447764056239171,0.8582625738201748,0.5121695598740512,0.16652508295378787,0.9267691038649752,0.3449108129780143,0.3368429081223905,0.5004359136476046 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -8.74050577e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.32277915986244,0.4907340672561278,0.9647413292865171,99.49730951804365,0.23217124889939367,0.8872346333587666,0.8447764056239171,0.8582625738201748,0.5121695598740512,0.16652508295378787,0.9267691038649752,0.3449108129780143,0.3368429081223905,0.5004359136476046 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00454530560636494 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.0893,0.51016839,1.037962,80.5456,0.88773608,0.76843233,0.8569068,0.15562094,0.1667327,0.487675,0.34562046,0.072986386,0.50069129,0.662794 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.28246 -1.2982 -0.0169097] (Cartesian), [-9.99989443e-01 -5.00001341e-01 7.08413909e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.282542239436466,0.49150445382467245,0.9634170892229598,99.45438640517723,0.23157822725432853,0.8877367892230597,0.8443896153171018,0.8569075038615321,0.5123355613705207,0.16673341105809714,0.9270241710614919,0.3456211679040919,0.3372165608890152,0.5006920012545104 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -4.25362629e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.282542239436466,0.49150445382467245,0.9634170892229598,99.45438640517723,0.23157822725432853,0.8877367892230597,0.8443896153171018,0.8569075038615321,0.5123355613705207,0.16673341105809714,0.9270241710614919,0.3456211679040919,0.3372165608890152,0.5006920012545104 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004553927412956843 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.0422,0.51176074,1.0394272,80.5842,0.88825278,0.76904545,0.8555456,0.15606653,0.16694036,0.48748567,0.34629915,0.072707578,0.50096992,0.66241985 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.84305 -1.29019 -4.9712 ] (Cartesian), [-1.93255720e-06 -4.99986810e-01 -9.99986833e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.240957709875455,0.49236193379085363,0.962084928344138,99.41582917447624,0.2309526221220657,0.8882659500313459,0.8439315347533545,0.855558771456336,0.5125123963413103,0.16695353007903146,0.9272904891844702,0.3463123191437836,0.3375782192744292,0.5009830919549971 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -4.77687086e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.240957709875455,0.49236193379085363,0.962084928344138,99.41582917447624,0.2309526221220657,0.8882659500313459,0.8439315347533545,0.855558771456336,0.5125123963413103,0.16695353007903146,0.9272904891844702,0.3463123191437836,0.3375782192744292,0.5009830919549971 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004562596705038881 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.994,0.51347617,1.040869,80.6175,0.88878427,0.76966546,0.85418111,0.15655788,0.1671491,0.48725945,0.34694437,0.072389713,0.5012699,0.66203339 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 8.34135e-01 -9.91569e-06 -4.92384e+00] (Cartesian), [-1.09890964e-06 -3.86688118e-06 -9.99998653e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.198073420954906,0.4933097558583845,0.9607409903492047,99.38247587206992,0.7696643630153728,0.11121707411621218,0.15655678389710914,0.1458202398913997,0.487258352266716,0.8328522487116528,0.07238861407108521,0.6530569726770392,0.6620322889256294,0.49873144301347283 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.74531665e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.198073420954906,0.4933097558583845,0.9607409903492047,99.38247587206992,0.7696643630153728,0.11121707411621218,0.15655678389710914,0.1458202398913997,0.487258352266716,0.8328522487116528,0.07238861407108521,0.6530569726770392,0.6620322889256294,0.49873144301347283 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004571308271781343 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.9446,0.51528941,1.042329,80.6448,0.88933109,0.7702909,0.85281555,0.15709363,0.16736084,0.48699408,0.34755441,0.072029661,0.50158943,0.66163477 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.15383e+00 -1.03901e-05 -2.27583e-02] (Cartesian), [-9.99986780e-01 -4.07797379e-06 -5.48567567e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.153948822551344,0.49435074816444596,0.95937673853459,99.35523635231485,0.7703041162598461,0.11066836634280897,0.15710685172145267,0.14718389862893155,0.48700729973392787,0.8326386097991314,0.07204288088568478,0.6524450413720535,0.6616479868569032,0.4984100191976055 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.96239974e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.153948822551344,0.49435074816444596,0.95937673853459,99.35523635231485,0.7703041162598461,0.11066836634280897,0.15710685172145267,0.14718389862893155,0.48700729973392787,0.8326386097991314,0.07204288088568478,0.6524450413720535,0.6616479868569032,0.4984100191976055 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004580058343641912 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.894,0.51722517,1.04387,80.665,0.88989383,0.77091901,0.85145134,0.15767122,0.16757823,0.48668788,0.34812781,0.071624504,0.50192534,0.66122492 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.38677e-05 -1.26566e+00 -6.50193e-07] (Cartesian), [-2.73393350e-06 -5.00012004e-01 -1.21105346e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.108664022985203,0.49548359749970294,0.957980383977833,99.33497452223163,0.2290782524177326,0.8898937057241358,0.8423260490385833,0.8514512217220398,0.5133093865434752,0.16757810545331608,0.9283727620732583,0.3481276892871499,0.3387723496067485,0.5019252173638247 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 7.2102553e-18] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.108664022985203,0.49548359749970294,0.957980383977833,99.33497452223163,0.2290782524177326,0.8898937057241358,0.8423260490385833,0.8514512217220398,0.5133093865434752,0.16757810545331608,0.9283727620732583,0.3481276892871499,0.3387723496067485,0.5019252173638247 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004588845782811482 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.8422,0.51928875,1.0454545,80.6772,0.89047459,0.77154907,0.85008903,0.15828956,0.16780325,0.48633552,0.34866307,0.071171641,0.50227523,0.66080346 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.808027 -1.25725 -4.77429 ] (Cartesian), [-1.31521886e-08 -4.99998035e-01 -9.99988522e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.062293651366154,0.4967135561045502,0.9565308967418434,99.32283953119645,0.2284509207410632,0.8904860698743402,0.8417104290910853,0.8501005090654217,0.51366446419761,0.16781472530102115,0.9288283462494495,0.3486745488649621,0.3391965283502065,0.5022867052437532 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.05434338e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.062293651366154,0.4967135561045502,0.9565308967418434,99.32283953119645,0.2284509207410632,0.8904860698743402,0.8417104290910853,0.8501005090654217,0.51366446419761,0.16781472530102115,0.9288283462494495,0.3486745488649621,0.3391965283502065,0.5022867052437532 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004592423726788516 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.7893,0.52149583,1.047105,80.68,0.89107631,0.77217923,0.84872901,0.15894642,0.16803852,0.4859314,0.34915881,0.070668709,0.50263514,0.66037071 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.01482 -2.49759 -0.0255743] (Cartesian), [-9.99989966e-01 -9.99977058e-01 -1.38651407e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.014936605714335,0.49804164981618215,0.9550015282553493,99.32004769561912,0.7721892613595507,0.1089223066172329,0.15895645036473294,0.1512696034380463,0.48594143661780276,0.8319600957947633,0.07067874279878339,0.650839803642093,0.6603807443318139,0.49736347703875694 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -8.98030827e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.014936605714335,0.49804164981618215,0.9550015282553493,99.32004769561912,0.7721892613595507,0.1089223066172329,0.15895645036473294,0.1512696034380463,0.48594143661780276,0.8319600957947633,0.07067874279878339,0.650839803642093,0.6603807443318139,0.49736347703875694 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00459354375119672 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.735,0.52390707,1.0489335,80.6721,0.89170303,0.77280772,0.84737102,0.1596393,0.16828683,0.4854682,0.34961362,0.070113792,0.50300021,0.65992717 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.17501 -1.24035 -4.69403] (Cartesian), [-0.99999846 -0.4999969 -0.99998853] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.966705293730406,0.49946901156837725,0.9533567304924531,99.3279121810473,0.22719382685739342,0.8917145025705433,0.8403622440658602,0.8473824984741323,0.5145333482322081,0.1682983022065545,0.9298877512489137,0.3496250951118456,0.3400743728367681,0.5030116791302643 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.12607285e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.966705293730406,0.49946901156837725,0.9533567304924531,99.3279121810473,0.22719382685739342,0.8917145025705433,0.8403622440658602,0.8473824984741323,0.5145333482322081,0.1682983022065545,0.9298877512489137,0.3496250951118456,0.3400743728367681,0.5030116791302643 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004594315892565932 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.6795,0.52650924,1.0509029,80.6519,0.89236094,0.77343301,0.84601368,0.16036526,0.16855097,0.48493552,0.35002596,0.069505288,0.50336441,0.65947319 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.91762 -1.23191 -0.0253415] (Cartesian), [-9.99990709e-01 -5.00010474e-01 -1.76103123e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.917732323117469,0.5009968468489954,0.9515485904173477,99.34812068518252,0.22657628475720237,0.8923591791546626,0.8396440355304695,0.8460119234613497,0.5150737701970027,0.16854920668738638,0.930504003201837,0.35002419818141584,0.3405361020815807,0.5033626483081055 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 1.2201382e-17] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.917732323117469,0.5009968468489954,0.9515485904173477,99.34812068518252,0.22657628475720237,0.8923591791546626,0.8396440355304695,0.8460119234613497,0.5150737701970027,0.16854920668738638,0.930504003201837,0.35002419818141584,0.3405361020815807,0.5033626483081055 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004594706715019617 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.6224,0.52935704,1.0531758,80.6173,0.89305869,0.77405395,0.84465415,0.16112114,0.16883365,0.48431914,0.35039391,0.068842263,0.5037203,0.65900908 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.11389e-05 -1.22346e+00 -4.92687e-06] (Cartesian), [-2.45849476e-06 -5.00008300e-01 -1.06803324e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.868171149763116,0.5026280521719071,0.9495125097548155,99.38271211280262,0.22594359439088763,0.8930576237343439,0.8388763998951547,0.8446530792228462,0.5156783975835457,0.16883258489667075,0.9311552780750629,0.35039284314440033,0.34098846307429964,0.5037192347285568 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.64309922e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.868171149763116,0.5026280521719071,0.9495125097548155,99.38271211280262,0.22594359439088763,0.8930576237343439,0.8388763998951547,0.8446530792228462,0.5156783975835457,0.16883258489667075,0.9311552780750629,0.35039284314440033,0.34098846307429964,0.5037192347285568 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004594671562919515 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.5636,0.53251819,1.0557893,80.5656,0.893809,0.77467028,0.84328739,0.16190379,0.16913725,0.48359823,0.35071487,0.068124313,0.5040588,0.65853455 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.23311e-07 -1.21511e+00 -6.10452e-07] (Cartesian), [-1.09444199e-07 -5.00012790e-01 -1.35148449e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.818200629748334,0.5043704118948515,0.9471587292881536,99.43444314775113,0.2253296140530081,0.8938088622277882,0.8380960985802037,0.8432872530583837,0.5164016568486318,0.16913711940614018,0.9318755779447756,0.35071473376153195,0.341465345418585,0.5040586625029837 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.72534043e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.818200629748334,0.5043704118948515,0.9471587292881536,99.43444314775113,0.2253296140530081,0.8938088622277882,0.8380960985802037,0.8432872530583837,0.5164016568486318,0.16913711940614018,0.9318755779447756,0.35071473376153195,0.341465345418585,0.5040586625029837 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004594145864426902 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.5027,0.53607835,1.0589202,80.4924,0.89462996,0.7752843,0.84190487,0.16271227,0.16946329,0.4827397,0.35098422,0.067349046,0.50436875,0.65804752 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.00471 -1.2069 -4.45847] (Cartesian), [-0.99999355 -0.50000146 -0.99999614] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.768026120980201,0.5062457516726955,0.9443559120035605,99.50762637420789,0.22472215531324724,0.8946338227712389,0.8372941830668728,0.8419087286638463,0.5172667494801908,0.16946715129694923,0.932657407616567,0.35098808070970655,0.34195893234860764,0.5043726120943925 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.30868053e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.768026120980201,0.5062457516726955,0.9443559120035605,99.50762637420789,0.22472215531324724,0.8946338227712389,0.8372941830668728,0.8419087286638463,0.5172667494801908,0.16946715129694923,0.932657407616567,0.35098808070970655,0.34195893234860764,0.5043726120943925 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004593027696727032 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.439,0.54023429,1.0628295,80.3902,0.89554867,0.77590437,0.84049112,0.16355196,0.16981123,0.48168607,0.35119317,0.066508188,0.50463611,0.65754133 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.757697 -1.19904 -4.37384 ] (Cartesian), [ 9.77395808e-08 -4.99986529e-01 -9.99989411e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.717892864881477,0.5083084076839378,0.9408927452751308,99.60982029579839,0.22409572443631132,0.8955592562665591,0.8364481404290651,0.8405017052363968,0.5183140233751358,0.16982181608362223,0.9334919101248509,0.35120376331879966,0.3424587692977892,0.5046467020681529 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.17893366e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.717892864881477,0.5083084076839378,0.9408927452751308,99.60982029579839,0.22409572443631132,0.8955592562665591,0.8364481404290651,0.8405017052363968,0.5183140233751358,0.16982181608362223,0.9334919101248509,0.35120376331879966,0.3424587692977892,0.5046467020681529 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00459113594927272 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.3711,0.54540047,1.0679463,80.2444,0.89661219,0.7765526,0.83901368,0.16444247,0.17017514,0.4803259,0.35132372,0.065583058,0.50484029,0.6569984 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.91471 -1.19201 -4.31943] (Cartesian), [-0.99998783 -0.50001228 -0.99998697] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.668142762919375,0.5106873525570738,0.9363762973210352,99.75560699945567,0.22345957353544055,0.8966252241174264,0.8355697004884943,0.8390267139701391,0.5196862723717817,0.17018817188158764,0.9344291150071353,0.351336756322032,0.34301376801549077,0.5048533172932661 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.03397801e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.668142762919375,0.5106873525570738,0.9363762973210352,99.75560699945567,0.22345957353544055,0.8966252241174264,0.8355697004884943,0.8390267139701391,0.5196862723717817,0.17018817188158764,0.9344291150071353,0.351336756322032,0.34301376801549077,0.5048533172932661 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004588099040393803 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.2955,0.55248516,1.0753812,80.0202,0.89791027,0.7772948,0.83739378,0.1654548,0.17053127,0.4783956,0.35132815,0.064512408,0.50495027,0.65636383 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.751162 -1.1866 -4.22931 ] (Cartesian), [ 1.49235685e-07 -4.99999057e-01 -9.99999361e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.61929776026594,0.5137587133478715,0.9299034953731561,99.97978188652978,0.22270534490606564,0.8979109092864199,0.8345453513225223,0.8373944201674539,0.5216045505394318,0.17053191361838538,0.9354877407798416,0.35132878534441137,0.3436363152451847,0.5049509082139156 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.15336363e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.61929776026594,0.5137587133478715,0.9299034953731561,99.97978188652978,0.22270534490606564,0.8979109092864199,0.8345453513225223,0.8373944201674539,0.5216045505394318,0.17053191361838538,0.9354877407798416,0.35132878534441137,0.3436363152451847,0.5049509082139156 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004582602291200095 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.1924,0.56716916,1.0905925,79.532,0.89963163,0.77859336,0.83523201,0.16719459,0.17068042,0.47455291,0.35089362,0.062717352,0.50499283,0.65523085 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.59255e-05 -1.18891e+00 -2.87557e-06] (Cartesian), [-3.59936674e-06 -5.00014015e-01 -7.02897640e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.572156963548039,0.5200506828610914,0.9169400416986575,100.46796334872305,0.22140304405173894,0.899630928944944,0.8328018154962784,0.8352313115579828,0.525443489717152,0.17067971920994296,0.9372790489125209,0.35089292176334497,0.3447655507586169,0.5049921223548273 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.08627355e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.572156963548039,0.5200506828610914,0.9169400416986575,100.46796334872305,0.22140304405173894,0.899630928944944,0.8328018154962784,0.8352313115579828,0.525443489717152,0.17067971920994296,0.9372790489125209,0.35089292176334497,0.3447655507586169,0.5049921223548273 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004895541335845398 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.1791,0.92390928,1.4977824,107.536,0.70586368,0.78743275,0.95550754,0.18234959,0.53532047,0.39637607,0.33681937,0.99525378,0.11706851,0.60638481 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.31351e-06 -4.27548e-06 -2.10385e-06] (Cartesian), [-2.09354203e-06 -1.45563969e-06 -8.64464832e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.8638814892423925,0.6038763272994744,0.6536179874294745,111.01732234009859,0.787430652762561,0.08156820560365796,0.18234750029502633,0.22684119258926927,0.39637397462607504,0.8610547346045396,0.9952516825744371,0.658433538221799,0.6063827132668016,0.4893154372799273 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.92274984e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.8638814892423925,0.6038763272994744,0.6536179874294745,111.01732234009859,0.787430652762561,0.08156820560365796,0.18234750029502633,0.22684119258926927,0.39637397462607504,0.8610547346045396,0.9952516825744371,0.658433538221799,0.6063827132668016,0.4893154372799273 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004893195628204593 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.1372,0.92595308,1.5011156,107.4321,0.70541022,0.78724956,0.95425862,0.18265535,0.5347461,0.39601974,0.33523333,0.99481877,0.11658649,0.60576262 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.11347e-05 -2.90490e+00 -3.10442e-06] (Cartesian), [-2.57008081e-06 -9.99994098e-01 -1.24630884e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.813262623639315,0.6035235079921324,0.6517854778556326,111.01925179406217,0.7872469893148839,0.08183809610473136,0.18265278475119162,0.22839549251768032,0.3960171730997393,0.8612723995386613,0.9948161994444333,0.6595841911046683,0.6057600502487097,0.4891748797072022 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.28302162e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.813262623639315,0.6035235079921324,0.6517854778556326,111.01925179406217,0.7872469893148839,0.08183809610473136,0.18265278475119162,0.22839549251768032,0.3960171730997393,0.8612723995386613,0.9948161994444333,0.6595841911046683,0.6057600502487097,0.4891748797072022 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004890386379951946 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.095,0.92804523,1.5045557,107.3204,0.70485999,0.78705006,0.95293435,0.18293624,0.53412132,0.39566144,0.33358909,0.99439245,0.11602749,0.60511994 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.78873 -1.43616 -2.70727] (Cartesian), [-0.99999211 -0.50001019 -0.99999045] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.762541435840983,0.6030942722420264,0.6498690701677241,111.02504192493622,0.212957829390656,0.9178194770187518,0.817071656995394,0.770007664476307,0.6043464585495517,0.13846943483345786,0.005615446751442654,0.3392061911227331,0.39488795020735057,0.5109170922576625 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -5.8187012e-17] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.762541435840983,0.6030942722420264,0.6498690701677241,111.02504192493622,0.212957829390656,0.9178194770187518,0.817071656995394,0.770007664476307,0.6043464585495517,0.13846943483345786,0.005615446751442654,0.3392061911227331,0.39488795020735057,0.5109170922576625 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004887096741722385 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.0525,0.93012285,1.5081736,107.2004,0.7042123,0.78683544,0.9515245,0.18319379,0.53344002,0.39530104,0.33187575,0.99397393,0.11538857,0.60445468 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.95675 -1.41959 -2.89868] (Cartesian), [-2.49909397e-06 -4.99988058e-01 -9.99984750e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.711762383373621,0.6025872241371735,0.647856149415654,111.03415870514318,0.2131620568729402,0.9173921084262364,0.816803714845026,0.7683459623896676,0.6046964621172082,0.1381542359207244,0.006023574354372618,0.3379170773930773,0.39554282312715494,0.5109491461513778 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.44396788e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.711762383373621,0.6025872241371735,0.647856149415654,111.03415870514318,0.2131620568729402,0.9173921084262364,0.816803714845026,0.7683459623896676,0.6046964621172082,0.1381542359207244,0.006023574354372618,0.3379170773930773,0.39554282312715494,0.5109491461513778 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004883314454234948 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.0098,0.93225463,1.5118945,107.0717,0.70346813,0.78660564,0.95002292,0.18342762,0.5327003,0.3949374,0.33008714,0.99356117,0.11466891,0.60376367 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.71013 -1.40295 -2.63475] (Cartesian), [-0.99999415 -0.49999937 -0.99999736] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.660954943261874,0.6020018589627034,0.6457418266051232,111.046769746967,0.213400209271156,0.9168651321840549,0.8165782275919025,0.766597941711864,0.6050684473430936,0.13776554174861522,0.006444672017690056,0.33652860973993537,0.396242178497892,0.5109078854262168 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.01686901e-16] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.660954943261874,0.6020018589627034,0.6457418266051232,111.046769746967,0.213400209271156,0.9168651321840549,0.8165782275919025,0.766597941711864,0.6050684473430936,0.13776554174861522,0.006444672017690056,0.33652860973993537,0.396242178497892,0.5109078854262168 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0048790381715989204 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.9668,0.93440744,1.5158083,106.934,0.70263249,0.78635892,0.94843279,0.18363455,0.53190784,0.39456859,0.32822603,0.99315072,0.11387273,0.60304281 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.46986e-05 -1.38609e+00 -1.03873e-05] (Cartesian), [-4.00313961e-06 -4.99988114e-01 -3.99864677e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.610117141578641,0.6013395792950301,0.6435358623806521,111.06393596599476,0.21363707386832642,0.9162695678873032,0.8163614479400785,0.7647942408515189,0.6054274026955295,0.13733524689118903,0.006845278253321707,0.33507131596339734,0.39695318394686185,0.5108259160013429 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.44721193e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.610117141578641,0.6013395792950301,0.6435358623806521,111.06393596599476,0.21363707386832642,0.9162695678873032,0.8163614479400785,0.7647942408515189,0.6054274026955295,0.13733524689118903,0.006845278253321707,0.33507131596339734,0.39695318394686185,0.5108259160013429 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004874277308459831 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.9237,0.9365872,1.5197182,106.7869,0.70171738,0.78609138,0.94676887,0.18380827,0.5310778,0.39419105,0.32630631,0.99273676,0.11301226,0.60228625 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.63104e+00 -3.57870e-06 -2.56076e+00] (Cartesian), [-9.99990925e-01 -1.30691258e-06 -9.99999208e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.559210276248508,0.6006052618601423,0.6412650005141624,111.08788048368525,0.7861004587058478,0.08437479773430745,0.18381734319314091,0.23704019203155524,0.39420012355864165,0.8631140394175669,0.9927458373239528,0.6664312462371638,0.6022953235556787,0.48927478419594816 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.12600654e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.559210276248508,0.6006052618601423,0.6412650005141624,111.08788048368525,0.7861004587058478,0.08437479773430745,0.18381734319314091,0.23704019203155524,0.39420012355864165,0.8631140394175669,0.9927458373239528,0.6664312462371638,0.6022953235556787,0.48927478419594816 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004869045773175121 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.8806,0.93869333,1.5236062,106.6299,0.70074284,0.78579684,0.94505594,0.18393964,0.53023389,0.39379856,0.32435174,0.99231085,0.11210848,0.60148565 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.58177e-05 -1.35199e+00 -8.96488e-06] (Cartesian), [-4.24290337e-06 -4.99990208e-01 -3.60587396e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.50816487406324,0.5998079114894836,0.6389703980617634,111.12201879454855,0.214198918748836,0.914942391259749,0.816056119800485,0.7611126933166048,0.6061971931555319,0.13643172040549367,0.0076849103974048205,0.33203728921984954,0.398510110727464,0.5106192290935718 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -5.75342654e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.50816487406324,0.5998079114894836,0.6389703980617634,111.12201879454855,0.214198918748836,0.914942391259749,0.816056119800485,0.7611126933166048,0.6061971931555319,0.13643172040549367,0.0076849103974048205,0.33203728921984954,0.398510110727464,0.5106192290935718 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004863352666665996 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.8377,0.94072664,1.5272228,106.4623,0.69973597,0.7854675,0.9433254,0.18401781,0.52940549,0.39338248,0.32239252,0.99186254,0.1111899,0.6006305 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.91221e-05 -1.33475e+00 -7.86993e-06] (Cartesian), [-4.96421303e-06 -4.99999948e-01 -3.30429734e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.456895088979805,0.598959639938752,0.6367015750520325,111.17063172759258,0.2145275308204706,0.914265160959963,0.815977229505455,0.7593042909098839,0.6066125598549061,0.13601970945766784,0.008132494007277336,0.3305266785478671,0.3993645349744104,0.5105560939531957 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -7.3038564e-17] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.456895088979805,0.598959639938752,0.6367015750520325,111.17063172759258,0.2145275308204706,0.914265160959963,0.815977229505455,0.7593042909098839,0.6066125598549061,0.13601970945766784,0.008132494007277336,0.3305266785478671,0.3993645349744104,0.5105560939531957 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004857194063624137 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.7952,0.94258014,1.5303735,106.283,0.69872686,0.78509553,0.94160763,0.18403228,0.52862076,0.39293259,0.32045785,0.9913808,0.11028739,0.59970897 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.50916 -2.6347 -2.44632] (Cartesian), [-0.999995 -0.99999817 -0.99999562] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.405328634558341,0.598072255849384,0.6345040821239358,111.23810860719539,0.7851005291133994,0.0863730390237114,0.18403728727422575,0.24242902888267626,0.3929375897937788,0.8643162020398216,0.991385799509874,0.6709273209454489,0.5997139726886405,0.48942595765429475 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 6.41931134e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.405328634558341,0.598072255849384,0.6345040821239358,111.23810860719539,0.7851005291133994,0.0863730390237114,0.18403728727422575,0.24242902888267626,0.3929375897937788,0.8643162020398216,0.991385799509874,0.6709273209454489,0.5997139726886405,0.48942595765429475 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0048505396410784005 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.7531,0.94428099,1.5330355,106.0905,0.69774171,0.78467508,0.93992396,0.18397539,0.52790011,0.39243907,0.31856713,0.99085632,0.1094276,0.59870996 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.46698 -1.29986 -2.40697] (Cartesian), [-0.9999965 -0.50000959 -0.99999203] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.3534285068428815,0.5971546623992852,0.6324090241414112,111.32812502836309,0.21532842623769977,0.9130745996445353,0.8160281101830158,0.7559565397062182,0.6075644346750919,0.1354690111554544,0.009147186866042656,0.3277187887846771,0.40129354783831284,0.5107256179744895 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -5.02987525e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.3534285068428815,0.5971546623992852,0.6324090241414112,111.32812502836309,0.21532842623769977,0.9130745996445353,0.8160281101830158,0.7559565397062182,0.6075644346750919,0.1354690111554544,0.009147186866042656,0.3277187887846771,0.40129354783831284,0.5107256179744895 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0048433366346913205 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.7116,0.94571471,1.5350347,105.8837,0.69679844,0.78420331,0.93828395,0.18384345,0.52725429,0.39189435,0.31672737,0.99028362,0.10862907,0.59762541 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.33083e-07 -2.56439e+00 -7.87199e-07] (Cartesian), [-2.83947935e-07 -9.99987289e-01 -3.28781714e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.301197938046001,0.5962112493465958,0.6304297390938135,111.44307513210015,0.7842030285765051,0.08740454141454213,0.18384316901576225,0.24555917312769315,0.391894070413499,0.8646397327834143,0.9902833400759787,0.6735559243259075,0.5976251262702974,0.4889960147404575 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.24474361e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.301197938046001,0.5962112493465958,0.6304297390938135,111.44307513210015,0.7842030285765051,0.08740454141454213,0.18384316901576225,0.24555917312769315,0.391894070413499,0.8646397327834143,0.9902833400759787,0.6735559243259075,0.5976251262702974,0.4889960147404575 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004835519621500973 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.6706,0.94697821,1.5363963,105.6611,0.69590604,0.78368056,0.93668457,0.18363657,0.52668311,0.3912938,0.31493406,0.98966173,0.10790073,0.59645079 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.33350e-06 -3.04186e-06 -5.10547e-06] (Cartesian), [-9.76972970e-07 -1.20279740e-06 -2.09801381e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.248683264149824,0.5952403798934645,0.6285612985346208,111.5840094620143,0.7836795854987164,0.08777242746179259,0.18363559151748898,0.24694990219575974,0.39129282408790633,0.8646085927231342,0.9896607562373174,0.6747255750939187,0.5964498084496968,0.4885479557871859 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.33170404e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.248683264149824,0.5952403798934645,0.6285612985346208,111.5840094620143,0.7836795854987164,0.08777242746179259,0.18363559151748898,0.24694990219575974,0.39129282408790633,0.8646085927231342,0.9896607562373174,0.6747255750939187,0.5964498084496968,0.4885479557871859 INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004288901405540959 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7713,0.4694263,1.1576768,78.9394,0.86576616,0.71797643,0.89453972,0.17973893,0.17066849,0.49554654,0.31673273,0.074919754,0.49477029,0.68048551 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.10720e+00 -4.22832e-07 -5.66410e+00] (Cartesian), [-1.30638526e-06 -1.56072739e-07 -9.99999364e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.681258043060783,0.4054922435865687,0.8638054058799316,101.06061111238003,0.7179751193201889,0.13423447428126756,0.17973762334774857,0.10546091509668054,0.4955452290276037,0.8293321443503872,0.07491844774909517,0.683267901920656,0.6804842057531189,0.5052303480521809 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.95634302e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.681258043060783,0.4054922435865687,0.8638054058799316,101.06061111238003,0.7179751193201889,0.13423447428126756,0.17973762334774857,0.10546091509668054,0.4955452290276037,0.8293321443503872,0.07491844774909517,0.683267901920656,0.6804842057531189,0.5052303480521809 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004286422274063684 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7759,0.46939871,1.1578802,78.9237,0.86575739,0.71781429,0.8947561,0.17994812,0.17059405,0.49546787,0.31668785,0.075183975,0.49479714,0.68045639 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.57883 -2.71119 -5.66763] (Cartesian), [-0.99999829 -0.999984 -0.99999379] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.687806710437077,0.4053994842316404,0.863650129131417,101.07631895509847,0.7178160001556206,0.13424881803892896,0.1799498253000522,0.1052501098969878,0.4954695754297398,0.8294121561902281,0.07518568227762867,0.6833183579734239,0.6804581018861575,0.5052090667534075 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 2.5656237e-17] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.687806710437077,0.4053994842316404,0.863650129131417,101.07631895509847,0.7178160001556206,0.13424881803892896,0.1799498253000522,0.1052501098969878,0.4954695754297398,0.8294121561902281,0.07518568227762867,0.6833183579734239,0.6804581018861575,0.5052090667534075 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004283885448380273 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7806,0.46938034,1.1580978,78.9075,0.86574985,0.71764955,0.89497688,0.18016409,0.1705175,0.49538576,0.31664447,0.075457883,0.49482484,0.68042382 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.11076 -2.7133 -5.67287] (Cartesian), [-1.17510682e-06 -9.99994111e-01 -9.99995839e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.694452242814593,0.40530813878189587,0.863493708102243,101.09245458316032,0.7176483712283404,0.1342543079356331,0.18016291747585855,0.10502728215319035,0.4953845854201302,0.829486660268731,0.07545670804302573,0.6833596877478492,0.6804226489354068,0.505179320052322 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.75984148e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.694452242814593,0.40530813878189587,0.863493708102243,101.09245458316032,0.7176483712283404,0.1342543079356331,0.18016291747585855,0.10502728215319035,0.4953845854201302,0.829486660268731,0.07545670804302573,0.6833596877478492,0.6804226489354068,0.505179320052322 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004281287669332113 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7854,0.46935389,1.158295,78.8909,0.86574343,0.717482,0.89520271,0.18038736,0.17043875,0.4953001,0.31660272,0.075741983,0.49485322,0.68038771 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.70120e+00 -2.71539e+00 2.47735e-03] (Cartesian), [-9.99999865e-01 -9.99978649e-01 -4.43361768e-08] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.701201415352266,0.40521808096833445,0.8633361367749185,101.10907136588757,0.7174821348357376,0.13425652213426176,0.18038749717291758,0.10479725003166651,0.4953002395582029,0.8295612068146752,0.0757421180343758,0.683397234186292,0.6803878440175413,0.5051467335669235 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.12802416e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.701201415352266,0.40521808096833445,0.8633361367749185,101.10907136588757,0.7174821348357376,0.13425652213426176,0.18038749717291758,0.10479725003166651,0.4953002395582029,0.8295612068146752,0.0757421180343758,0.683397234186292,0.6803878440175413,0.5051467335669235 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042786254055317595 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7902,0.46934475,1.1585265,78.8738,0.86573811,0.71731144,0.89543396,0.18061845,0.1703577,0.49521072,0.31656274,0.076036913,0.49488223,0.68034779 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.11448 -1.35879 -5.68191] (Cartesian), [-1.21983594e-06 -4.99990464e-01 -9.99988871e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.70806076194759,0.4051292806359434,0.8631771107638951,101.1262070546019,0.28268734023632414,0.8657492413724914,0.8193803295160913,0.8954450890553158,0.5047880599124293,0.1703688279079496,0.9239618672298278,0.31657387043245433,0.3196509938485268,0.4948933627015486 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.08353243e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.70806076194759,0.4051292806359434,0.8631771107638951,101.1262070546019,0.28268734023632414,0.8657492413724914,0.8193803295160913,0.8954450890553158,0.5047880599124293,0.1703688279079496,0.9239618672298278,0.31657387043245433,0.3196509938485268,0.4948933627015486 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004275895029064411 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7952,0.46933669,1.1587176,78.8561,0.86573394,0.71713769,0.89567102,0.18085799,0.17027426,0.49511736,0.31652474,0.076343384,0.49491183,0.68030383 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.71498e+00 -7.49196e-06 4.28008e-03] (Cartesian), [-9.99991558e-01 -2.75452869e-06 9.96883625e-08] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.715037941064523,0.4050416456176814,0.8630162491730533,101.14390944060337,0.7171461292745485,0.1342661580018043,0.18086642961180655,0.10432908328070889,0.4951257971447074,0.8297258399026444,0.0763518257656366,0.6834753581589927,0.6803122756346973,0.5050882680763134 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 3.6446438e-17] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 -1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.715037941064523,0.4050416456176814,0.8630162491730533,101.14390944060337,0.7171461292745485,0.1342661580018043,0.18086642961180655,0.10432908328070889,0.4951257971447074,0.8297258399026444,0.0763518257656366,0.6834753581589927,0.6803122756346973,0.5050882680763134 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004273092215236122 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8002,0.46932864,1.1589428,78.8378,0.8657309,0.71696048,0.89591433,0.18110662,0.17018832,0.49501979,0.31648889,0.076662174,0.49494194,0.68025551 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.60367e+00 -8.59229e-06 -5.68611e+00] (Cartesian), [-9.99991965e-01 -3.15641707e-06 -9.99995270e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.722140696073313,0.40495516705931434,0.8628531561161416,101.16222242436469,0.716968509660115,0.1342738263806691,0.18111465752540856,0.10409040053706531,0.4950278254907816,0.8298164139898287,0.07667020821692949,0.6835158420568583,0.680263547124774,0.5050627941552235 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.76172788e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.722140696073313,0.40495516705931434,0.8628531561161416,101.16222242436469,0.716968509660115,0.1342738263806691,0.18111465752540856,0.10409040053706531,0.4950278254907816,0.8298164139898287,0.07667020821692949,0.6835158420568583,0.680263547124774,0.5050627941552235 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00427021249321662 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8053,0.46931252,1.1591821,78.8188,0.86572903,0.71677957,0.8961644,0.1813651,0.17009975,0.49491774,0.31645541,0.07699414,0.49497244,0.68020251 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.12045 -2.72449 -5.69613] (Cartesian), [ 3.67283601e-07 -9.99988352e-01 -9.99988321e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.729377679072989,0.404869791200298,0.8626874758762259,101.18120432907932,0.716779941583443,0.1342826536005841,0.18136547103048062,0.10384728310150693,0.4949181096806723,0.8299119277812812,0.0769945068019593,0.6835562670702005,0.6802028790951646,0.5050392416055112 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 5.9190831e-19] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.729377679072989,0.404869791200298,0.8626874758762259,101.18120432907932,0.716779941583443,0.1342826536005841,0.18136547103048062,0.10384728310150693,0.4949181096806723,0.8299119277812812,0.0769945068019593,0.6835562670702005,0.6802028790951646,0.5050392416055112 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004267250807423559 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8106,0.46929749,1.1593983,78.7991,0.8657283,0.7165947,0.89642172,0.18163428,0.17000843,0.4948109,0.31642456,0.077340248,0.49500325,0.68014446 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.51582e-05 -2.72689e+00 -9.70172e-06] (Cartesian), [-2.53417450e-06 -9.99980931e-01 -1.70495141e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.736758894746188,0.40478545298946755,0.8625186387498093,101.20092132746721,0.7165921663681591,0.13426999279319407,0.18163174327392806,0.10357657812762078,0.4948083640164507,0.829989860559035,0.07733771335306572,0.6835737392885548,0.6801419274210128,0.504995047159527 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 3.0940192e-17] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.736758894746188,0.40478545298946755,0.8625186387498093,101.20092132746721,0.7165921663681591,0.13426999279319407,0.18163174327392806,0.10357657812762078,0.4948083640164507,0.829989860559035,0.07733771335306572,0.6835737392885548,0.6801419274210128,0.504995047159527 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004264201698153426 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8159,0.46929968,1.1596314,78.7786,0.86572876,0.71640555,0.89668691,0.18191508,0.16991422,0.49469893,0.3163966,0.077701576,0.49503423,0.68008096 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.12472 -2.72939 -5.7061 ] (Cartesian), [-3.41808625e-07 -9.99985207e-01 -9.99995359e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.7442947828375,0.40470211688211905,0.862346215138446,101.22144501690575,0.7164052126996578,0.13427588219227826,0.18191473373322387,0.10331773576648584,0.494698587391611,0.8300904195239283,0.07770123375521654,0.6836080412957477,0.6800806134380051,0.5049704155107904 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 3.07041087e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.7442947828375,0.40470211688211905,0.862346215138446,101.22144501690575,0.7164052126996578,0.13427588219227826,0.18191473373322387,0.10331773576648584,0.494698587391611,0.8300904195239283,0.07770123375521654,0.6836080412957477,0.6800806134380051,0.5049704155107904 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004261058794325689 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8214,0.46930292,1.1598585,78.7571,0.86573041,0.71621179,0.89696061,0.18220856,0.16981696,0.49458143,0.31637187,0.07807932,0.49506519,0.68001154 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.28241e-06 -2.16493e-06 -1.17378e-05] (Cartesian), [-1.53143903e-07 -7.92436621e-07 -2.05546457e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.751997365870654,0.40461973112746097,0.8621695956414913,101.24285734517424,0.716211641655955,0.1342675298220415,0.18220841100031682,0.10303733431314233,0.49458127650999595,0.8301809870155845,0.07807916725632569,0.683626075463861,0.6800113845588034,0.5049327583242276 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.29403367e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.751997365870654,0.40461973112746097,0.8621695956414913,101.24285734517424,0.716211641655955,0.1342675298220415,0.18220841100031682,0.10303733431314233,0.49458127650999595,0.8301809870155845,0.07807916725632569,0.683626075463861,0.6800113845588034,0.5049327583242276 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042578151354132135 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8269,0.46930615,1.1601194,78.7348,0.8657332,0.71601307,0.89724371,0.18251601,0.1697165,0.49445796,0.31635077,0.078474697,0.49509586,0.67993579 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.12927 -2.73459 -5.71641] (Cartesian), [ 1.47922662e-08 -9.99985544e-01 -9.99991253e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.759880700834113,0.4045381349317004,0.861988052091605,101.26524846830736,0.7160130838085401,0.13427554912825546,0.182516022603753,0.10276503779010371,0.4944579737254442,0.8302922514851705,0.07847471190686428,0.683657981972889,0.6799358070343471,0.5049128825553639 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.76044164e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.759880700834113,0.4045381349317004,0.861988052091605,101.26524846830736,0.7160130838085401,0.13427554912825546,0.182516022603753,0.10276503779010371,0.4944579737254442,0.8302922514851705,0.07847471190686428,0.683657981972889,0.6799358070343471,0.5049128825553639 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004254463021178047 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8326,0.46932757,1.1603744,78.7113,0.86573731,0.7158089,0.89753666,0.18283867,0.16961258,0.49432801,0.31633362,0.07888954,0.49512625,0.67985287 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.13166 -1.36871 -5.72175] (Cartesian), [-1.76071879e-06 -5.00012473e-01 -9.99992654e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.767958718173334,0.40445750764226923,0.8618008711254339,101.28873219229986,0.28418933435626004,0.8657446586916588,0.8171595664848885,0.8975440079109234,0.5056702266527298,0.1696199210359719,0.921108698890126,0.31634096185845495,0.32014537223389916,0.4951335972759452 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.86504092e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.767958718173334,0.40445750764226923,0.8618008711254339,101.28873219229986,0.28418933435626004,0.8657446586916588,0.8171595664848885,0.8975440079109234,0.5056702266527298,0.1696199210359719,0.921108698890126,0.31634096185845495,0.32014537223389916,0.4951335972759452 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004250993736684143 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8385,0.46933288,1.1606063,78.6866,0.86574265,0.71559889,0.89784065,0.18317824,0.16950504,0.49419101,0.31632095,0.079325368,0.49515583,0.67976231 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.77617e+00 -9.14892e-06 1.32387e-02] (Cartesian), [-9.99990325e-01 -3.33882276e-06 -9.33944257e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.776249562331635,0.4043775836471138,0.8616071444808328,101.31342902979446,0.715608566642636,0.13425641267136945,0.1831879162878729,0.10215841624052446,0.49420068244800275,0.8304940300495587,0.07933504301167815,0.6836781205930773,0.6797719807823164,0.5048432319073743 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.04296885e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.776249562331635,0.4043775836471138,0.8616071444808328,101.31342902979446,0.715608566642636,0.13425641267136945,0.1831879162878729,0.10215841624052446,0.49420068244800275,0.8304940300495587,0.07933504301167815,0.6836781205930773,0.6797719807823164,0.5048432319073743 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042473968762939095 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8444,0.46935528,1.1609062,78.6605,0.86574926,0.71538241,0.89815646,0.18353643,0.16939353,0.49404629,0.31631332,0.079784355,0.49518457,0.67966303 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.13676e+00 -6.39770e-06 -5.73276e+00] (Cartesian), [-1.28549521e-07 -2.33231005e-06 -9.99989429e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.784770075738618,0.40429880114289535,0.8614058292764798,101.33947595695378,0.7153822821249798,0.13426131103582373,0.18353630391996267,0.10185411157735969,0.49404615741285673,0.8306170384291653,0.07978422643746552,0.6836972464131854,0.679662900334431,0.5048259983659307 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -9.48834383e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.784770075738618,0.40429880114289535,0.8614058292764798,101.33947595695378,0.7153822821249798,0.13426131103582373,0.18353630391996267,0.10185411157735969,0.49404615741285673,0.8306170384291653,0.07978422643746552,0.6836972464131854,0.679662900334431,0.5048259983659307 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004243662251745512 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8506,0.46937066,1.16118,78.6329,0.86575706,0.71515912,0.89848617,0.18391579,0.1692781,0.49389305,0.31631141,0.08026819,0.49521114,0.6795551 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.70318e-05 -1.37305e+00 -9.52982e-06] (Cartesian), [-2.78692211e-06 -5.00002421e-01 -1.66850532e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.793550993093706,0.4042196353062452,0.8611958561847608,101.36707756166467,0.28483809453939246,0.8657553954620028,0.8160814215152259,0.8984844987062839,0.5061041676576936,0.16927643197779174,0.9197290229497666,0.31630973831345877,0.3204421127196606,0.4952094754920122 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -1.0430806e-18] [ 0.0000000e+00 1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.793550993093706,0.4042196353062452,0.8611958561847608,101.36707756166467,0.28483809453939246,0.8657553954620028,0.8160814215152259,0.8984844987062839,0.5061041676576936,0.16927643197779174,0.9197290229497666,0.31630973831345877,0.3204421127196606,0.4952094754920122 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004239775764573845 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8569,0.46939507,1.1614677,78.6036,0.86576611,0.71492812,0.89883053,0.18431852,0.16915817,0.49373044,0.31631597,0.080779951,0.49523573,0.67943672 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.80257 -1.3746 0.0177178] (Cartesian), [-9.99997306e-01 -4.99997201e-01 -5.60862746e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.80261204909506,0.4041411406358356,0.8609757977362911,101.3964075777517,0.2850745765417677,0.8657655467870797,0.8156841787579803,0.898829973336629,0.5062722581200547,0.1691576105995134,0.9192227433730371,0.31631541042602995,0.32056597636433026,0.49523516609956 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.69833206e-20] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.80261204909506,0.4041411406358356,0.8609757977362911,101.3964075777517,0.2850745765417677,0.8657655467870797,0.8156841787579803,0.898829973336629,0.5062722581200547,0.1691576105995134,0.9192227433730371,0.31631541042602995,0.32056597636433026,0.49523516609956 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042357220358115975 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8634,0.46943753,1.1617833,78.5723,0.86577667,0.71468852,0.89919052,0.18474753,0.16903336,0.4935573,0.31632773,0.081323143,0.49525778,0.67930652 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.31894e-06 -6.59124e-06 -1.14997e-05] (Cartesian), [-9.70810810e-07 -2.39466053e-06 -2.00307999e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.811984403042403,0.4040634102486765,0.8607433266757285,101.42768180253874,0.7146875494737503,0.13422132925604835,0.18474655523815597,0.10080747802878864,0.49355633153812795,0.8309646353776579,0.08132217186971236,0.6836702649202162,0.6793055514604514,0.5047402189387471 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -1.5858925e-17] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.811984403042403,0.4040634102486765,0.8607433266757285,101.42768180253874,0.7146875494737503,0.13422132925604835,0.18474655523815597,0.10080747802878864,0.49355633153812795,0.8309646353776579,0.08132217186971236,0.6836702649202162,0.6793055514604514,0.5047402189387471 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00423148393810777 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8701,0.46948093,1.1621097,78.5388,0.86578863,0.71443946,0.89956842,0.18520652,0.16890336,0.49337246,0.3163478,0.081901202,0.49527618,0.67916338 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.82166e+00 -6.82801e-06 2.12332e-02] (Cartesian), [-9.99998110e-01 -2.47762170e-06 -1.81407067e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.821708053622261,0.40398572813372535,0.8604964092496427,101.4611947089445,0.7144413510502425,0.13420955625587738,0.18520840582405018,0.10042977054409374,0.4933743514181581,0.8310948297013703,0.08190309151107944,0.6836503889286207,0.6791652664919536,0.5047220033797397 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.79362068e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.821708053622261,0.40398572813372535,0.8604964092496427,101.4611947089445,0.7144413510502425,0.13420955625587738,0.18520840582405018,0.10042977054409374,0.4933743514181581,0.8310948297013703,0.08190309151107944,0.6836503889286207,0.6791652664919536,0.5047220033797397 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004227040504218298 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.877,0.46952527,1.1624638,78.5026,0.86580178,0.71418005,0.89996731,0.18569999,0.16876779,0.4931744,0.31637759,0.082517884,0.49528945,0.6790061 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.83175 -2.75939 0.0232183] (Cartesian), [-9.99994439e-01 -9.99987081e-01 -1.10775032e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.8318275753933335,0.4039073906991742,0.8602336327481814,101.49735253678865,0.7141856121555508,0.13419810916977593,0.18570555085613938,0.10003257765201168,0.4931799625545976,0.8312320974913914,0.08252344509648646,0.683622300886376,0.6790116577170462,0.5047104410425929 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.43900068e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.8318275753933335,0.4039073906991742,0.8602336327481814,101.49735253678865,0.7141856121555508,0.13419810916977593,0.18570555085613938,0.10003257765201168,0.4931799625545976,0.8312320974913914,0.08252344509648646,0.683622300886376,0.6790116577170462,0.5047104410425929 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004222367345862862 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8841,0.46960453,1.1628626,78.4635,0.86581669,0.71390915,0.900389,0.186233,0.16862598,0.49296109,0.31641829,0.083178679,0.49529656,0.67883233 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.15539e+00 -1.12932e-05 -5.76954e+00] (Cartesian), [-5.53758935e-07 -4.08706737e-06 -9.99993529e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.842388555334089,0.4038289874705351,0.8599524890112937,101.53652952897858,0.7139086004987978,0.13418978508235058,0.1862324479987072,0.0996174735025761,0.49296053157549635,0.8313804914880865,0.08317812485246856,0.6835881844564011,0.6788317770272645,0.5047099161144999 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.75836284e-19] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.842388555334089,0.4038289874705351,0.8599524890112937,101.53652952897858,0.7139086004987978,0.13418978508235058,0.1862324479987072,0.0996174735025761,0.49296053157549635,0.8313804914880865,0.08317812485246856,0.6835881844564011,0.6788317770272645,0.5047099161144999 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004217437498196713 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8916,0.46966868,1.1632494,78.4209,0.86583448,0.71362693,0.90083627,0.18681169,0.16847708,0.49272924,0.31647097,0.083888133,0.49529612,0.67863989 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.85334e+00 -2.65577e-06 2.77063e-02] (Cartesian), [-9.99997952e-01 -9.59770229e-07 -7.92948448e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.853410977608873,0.4037536025561704,0.8596557477389066,101.57908999926472,0.713628974816721,0.13416472342449426,0.18681373935285484,0.09916293295438439,0.49273128910933295,0.8315221311079011,0.08389018130133263,0.6835282364368722,0.678641939339228,0.5047030843115632 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.04777361e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.853410977608873,0.4037536025561704,0.8596557477389066,101.57908999926472,0.713628974816721,0.13416472342449426,0.18681373935285484,0.09916293295438439,0.49273128910933295,0.8315221311079011,0.08389018130133263,0.6835282364368722,0.678641939339228,0.5047030843115632 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004212229216637055 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8993,0.4697676,1.1636804,78.3749,0.8658581,0.71333303,0.90130894,0.18744198,0.16831993,0.49247582,0.31653533,0.08465381,0.4952884,0.67842436 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.70155e+00 -9.77862e-06 -5.75320e+00] (Cartesian), [-9.99992585e-01 -3.52858154e-06 -9.99993548e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.864936750231562,0.4036833825328299,0.8593411392521549,101.62510252091525,0.7133404474653859,0.13414834814617493,0.1874493987988517,0.09869750788969212,0.49248323507964376,0.8316865189060179,0.08466122563662415,0.6834711234227204,0.6784317789739944,0.504718053336705 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 7.32652019e-19] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.864936750231562,0.4036833825328299,0.8593411392521549,101.62510252091525,0.7133404474653859,0.13414834814617493,0.1874493987988517,0.09869750788969212,0.49248323507964376,0.8316865189060179,0.08466122563662415,0.6834711234227204,0.6784317789739944,0.504718053336705 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004206701515081319 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9074,0.4698683,1.1641331,78.3252,0.86588977,0.71302759,0.90180949,0.18813215,0.16815311,0.49219567,0.31661193,0.085482601,0.49527222,0.67818165 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.1676 -2.77569 -5.79086] (Cartesian), [-1.48594630e-06 -9.99988203e-01 -9.99998985e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.8769758497886935,0.4036254897724637,0.8590121643738357,101.67481378566147,0.7130261061029053,0.134111242842478,0.18813066590322203,0.09819152584286828,0.4921941876340765,0.8318479087344541,0.08548111546630266,0.6833890805912102,0.6781801686203246,0.5047287965257024 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.34519467e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.8769758497886935,0.4036254897724637,0.8590121643738357,101.67481378566147,0.7130261061029053,0.134111242842478,0.18813066590322203,0.09819152584286828,0.4921941876340765,0.8318479087344541,0.08548111546630266,0.6833890805912102,0.6781801686203246,0.5047287965257024 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004200812107258836 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9159,0.47000456,1.1645903,78.271,0.86593109,0.71270898,0.90234376,0.18889159,0.16797519,0.49188545,0.31670186,0.086384294,0.49524536,0.67790705 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.71722 -2.7805 -5.76253] (Cartesian), [-0.99999426 -0.99999838 -0.99999871] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.889626172042221,0.40357842781804154,0.8586680212231258,101.72901060683856,0.7127147211836866,0.13407019599256875,0.18889732923647617,0.09765752657078819,0.4918911908713104,0.8320260986649242,0.08639003379432064,0.6832994300160093,0.6779127888733432,0.5047559269140622 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.88836771e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.889626172042221,0.40357842781804154,0.8586680212231258,101.72901060683856,0.7127147211836866,0.13407019599256875,0.18889732923647617,0.09765752657078819,0.4918911908713104,0.8320260986649242,0.08639003379432064,0.6832994300160093,0.6779127888733432,0.5047559269140622 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0041944561924224565 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9249,0.47016827,1.1651167,78.2105,0.86597766,0.71236683,0.90292259,0.18973723,0.16778474,0.49154223,0.31681149,0.087380167,0.49520244,0.6775929 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.72065e-06 -8.75229e-06 -1.42920e-05] (Cartesian), [-1.54002148e-06 -3.14190331e-06 -2.47175553e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.903176535055601,0.4035337876126981,0.8582810852993394,101.78951467185716,0.7123652852525741,0.13401987087493228,0.18973569201588814,0.09707494309544096,0.49154069459703553,0.8322127870400315,0.08737862679945474,0.6831860386245001,0.6775913592193445,0.5047950881873762 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.000000e+00 0.000000e+00 -6.899451e-18] [ 0.000000e+00 1.000000e+00 0.000000e+00] [ 0.000000e+00 0.000000e+00 -1.000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.903176535055601,0.4035337876126981,0.8582810852993394,101.78951467185716,0.7123652852525741,0.13401987087493228,0.18973569201588814,0.09707494309544096,0.49154069459703553,0.8322127870400315,0.08737862679945474,0.6831860386245001,0.6775913592193445,0.5047950881873762 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004187317678993673 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9344,0.47035926,1.1658971,78.136,0.86599594,0.71195473,0.90358689,0.19071597,0.16758248,0.49117293,0.31697241,0.08853254,0.49512038,0.67722713 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.18346e+00 -1.20078e-05 -5.81519e+00] (Cartesian), [-2.73457165e-07 -4.30194055e-06 -9.99996789e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.918864677912376,0.40342629768864324,0.8577146756824553,101.86396571303962,0.7119544593898559,0.13400727367999155,0.19071570010940575,0.09641631649545301,0.49117266059141595,0.8324207282807097,0.08853226635159661,0.6830308037214241,0.6772268568100168,0.5048828310751237 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.42834014e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.918864677912376,0.40342629768864324,0.8577146756824553,101.86396571303962,0.7119544593898559,0.13400727367999155,0.19071570010940575,0.09641631649545301,0.49117266059141595,0.8324207282807097,0.08853226635159661,0.6830308037214241,0.6772268568100168,0.5048828310751237 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0041792471786779055 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9446,0.47059516,1.1669246,78.0478,0.86600302,0.71147391,0.9043258,0.191879,0.16736313,0.49075441,0.31717973,0.089877534,0.49499797,0.67678898 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.19052 -1.39876 -5.82416] (Cartesian), [-5.07380095e-07 -5.00009961e-01 -9.99994707e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.936891904353343,0.40327344126421893,0.8569579251492561,101.9522136690537,0.2885255871958665,0.8660083126971994,0.8081204961144528,0.9043310975056862,0.509245083328389,0.16736842308590472,0.9101219585006695,0.3171850215239367,0.32321051252032684,0.49500326059900823 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.68831961e-18] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.936891904353343,0.40327344126421893,0.8569579251492561,101.9522136690537,0.2885255871958665,0.8660083126971994,0.8081204961144528,0.9043310975056862,0.509245083328389,0.16736842308590472,0.9101219585006695,0.3171850215239367,0.32321051252032684,0.49500326059900823 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00417045742881244 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9555,0.47092603,1.1679456,77.9573,0.86607565,0.71099083,0.90507422,0.19321707,0.16711412,0.49024356,0.31737093,0.091380496,0.49487164,0.67625695 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.19784e+00 -7.44636e-06 -5.83378e+00] (Cartesian), [-1.57643117e-06 -2.65508064e-06 -9.99992477e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.955662037296303,0.40320679342902227,0.8562136490619213,102.04270515203682,0.7109892546034604,0.1339318682877968,0.19321549022123796,0.09493330176891202,0.4902419840043155,0.8328933981298994,0.09137891988220637,0.6826365885669898,0.676255372730028,0.5051358784504716 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -6.23048422e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.955662037296303,0.40320679342902227,0.8562136490619213,102.04270515203682,0.7109892546034604,0.1339318682877968,0.19321549022123796,0.09493330176891202,0.4902419840043155,0.8328933981298994,0.09137891988220637,0.6826365885669898,0.676255372730028,0.5051358784504716 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004160345001112861 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9674,0.47137782,1.1692027,77.8547,0.86618584,0.7104373,0.90587885,0.19483552,0.16682879,0.4896299,0.31757418,0.093169561,0.49471267,0.67558578 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.27912e-07 -1.40646e+00 -1.10818e-05] (Cartesian), [-4.04186870e-07 -5.00010131e-01 -1.90027978e-06] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.977097791886091,0.4031565972350073,0.8552802189475014,102.14533333625802,0.2895622956696089,0.866183936693758,0.8051640788583323,0.9058769524822714,0.5103696963940205,0.1668268873548926,0.9068300352787761,0.3175722825727125,0.32441381371448585,0.49471076911116896 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.84550119e-18] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.977097791886091,0.4031565972350073,0.8552802189475014,102.14533333625802,0.2895622956696089,0.866183936693758,0.8051640788583323,0.9058769524822714,0.5103696963940205,0.1668268873548926,0.9068300352787761,0.3175722825727125,0.32441381371448585,0.49471076911116896 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004148268479938073 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9805,0.47203411,1.1708887,77.7365,0.86636204,0.70977505,0.90674358,0.19687674,0.16648697,0.48886258,0.31777249,0.095399785,0.49451148,0.67469197 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.00218e+00 -3.99905e-06 6.52807e-02] (Cartesian), [-9.99990990e-01 -1.41660385e-06 -5.84614167e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.002548133090566,0.40313667896553007,0.8540413850446712,102.26351857755964,0.7097840641488742,0.1336373789438261,0.19688574942640824,0.09325583294559658,0.4888715910057404,0.8335124496376782,0.09540879534452262,0.6822269284085594,0.6747009796337529,0.5054879321145442 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 1.99271007e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.002548133090566,0.40313667896553007,0.8540413850446712,102.26351857755964,0.7097840641488742,0.1336373789438261,0.19688574942640824,0.09325583294559658,0.4888715910057404,0.8335124496376782,0.09540879534452262,0.6822269284085594,0.6747009796337529,0.5054879321145442 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004132813580927006 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9955,0.47308815,1.1734134,77.5955,0.86667275,0.70891363,0.90767394,0.1996594,0.16604092,0.48783294,0.31791599,0.098440828,0.49424657,0.67337783 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.22740e+00 -4.14703e-06 -5.86850e+00] (Cartesian), [-1.77196741e-07 -1.46208371e-06 -9.99989786e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.035189230197593,0.4031708774867069,0.8522220501205233,102.40451097681401,0.7089134503566106,0.13333746745713992,0.19965921984878943,0.09233627241330256,0.4878327588547302,0.8339692965818601,0.09844065102275579,0.6820942245437756,0.6733776562036382,0.5057636482006371 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.01887081e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.035189230197593,0.4031708774867069,0.8522220501205233,102.40451097681401,0.7089134503566106,0.13333746745713992,0.19965921984878943,0.09233627241330256,0.4878327588547302,0.8339692965818601,0.09844065102275579,0.6820942245437756,0.6733776562036382,0.5057636482006371 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004108526292069113 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.016,0.47518285,1.1783743,77.4047,0.86742205,0.70746547,0.90868041,0.20447567,0.16529186,0.48614822,0.31773543,0.10390946,0.49381816,0.67080291 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.08862 -2.8587 0.0816481] (Cartesian), [-9.99996762e-01 -9.99998827e-01 -3.03786730e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.089113554775553,0.40325258311547435,0.8486205604110382,102.59525483552811,0.7074687047156021,0.13257764733036015,0.2044789084569767,0.09131928279279111,0.4861514623302281,0.8347078324218506,0.10391269578074347,0.6822642623871895,0.670806151975446,0.5061815352844219 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.95234185e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.089113554775553,0.40325258311547435,0.8486205604110382,102.59525483552811,0.7074687047156021,0.13257764733036015,0.2044789084569767,0.09131928279279111,0.4861514623302281,0.8347078324218506,0.10391269578074347,0.6822642623871895,0.670806151975446,0.5061815352844219 INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --parameter_symbols_only