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=6.610370602698889,0.4126686358275275,0.8923880875085941,101.99513755322089,0.2758449783802832,0.8715537375511018,0.8228340967620507,0.8968784860516319,0.5098847507889639,0.1689128899257435,0.9280925128924209,0.314234773191028,0.3205937039443101,0.48954277463212126 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.0003960287789677164 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=6.610370602698889,0.4126686358275275,0.8923880875085941,101.99513755322089,0.2758449783802832,0.8715537375511018,0.8228340967620507,0.8968784860516319,0.5098847507889639,0.1689128899257435,0.9280925128924209,0.314234773191028,0.3205937039443101,0.48954277463212126 --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 0.004288689535743048 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8997,0.46204044,1.1186671,78.0369,0.12818133,0.27550907,0.1034291,0.82318514,0.83109586,0.50984644,0.68584881,0.92827431,0.51029837,0.32071766 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.37633 -1.36295 -5.77209] (Cartesian), [-0.99999563 -0.50000012 -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=6.599824278497433,0.41302604573863205,0.8939187182327843,101.96311881958637,0.7244953020027391,0.1281826223276057,0.17681922523234972,0.10343039430914214,0.49015792793738555,0.8310971467097379,0.0717300550753115,0.6858501048886625,0.6792867058536123,0.510299661810103 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.11201597e-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=6.599824278497433,0.41302604573863205,0.8939187182327843,101.96311881958637,0.7244953020027391,0.1281826223276057,0.17681922523234972,0.10343039430914214,0.49015792793738555,0.8310971467097379,0.0717300550753115,0.6858501048886625,0.6792867058536123,0.510299661810103 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 0.004289012638170295 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8998,0.46199871,1.1184277,78.0409,0.12814834,0.27546732,0.10346669,0.82322739,0.83109656,0.50984165,0.68585801,0.92829586,0.51027792,0.32073256 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.59849e+00 -1.03476e-05 -7.29296e-04] (Cartesian), [-9.99993871e-01 -3.79636687e-06 1.17860157e-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=6.598530336389718,0.41307055663854003,0.8941058949894801,101.95909751016477,0.2754734477374965,0.8718517750980346,0.8232335150166175,0.8965334322414136,0.5098477776252825,0.16890356037436316,0.9283019925302045,0.3141421083896647,0.32073868806432504,0.4897221969051948 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.78026722e-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=6.598530336389718,0.41307055663854003,0.8941058949894801,101.95909751016477,0.2754734477374965,0.8718517750980346,0.8232335150166175,0.8965334322414136,0.5098477776252825,0.16890356037436316,0.9283019925302045,0.3141421083896647,0.32073868806432504,0.4897221969051948 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 0.004289373338856949 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8999,0.46194003,1.1181715,78.0455,0.12811154,0.27542059,0.10350894,0.82327516,0.83109744,0.50983625,0.68586824,0.92831966,0.51025495,0.32074938 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.60449e-06 -1.36270e+00 -1.35692e-05] (Cartesian), [-1.89158254e-06 -5.00001586e-01 -2.35069210e-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=6.597073861819446,0.4131212431054147,0.8943161577333728,101.95454176339315,0.7245775210076801,0.12810919224152095,0.1767229467155813,0.10350659261352968,0.4901618592404198,0.8310950898341525,0.07167844801618051,0.6858658850253352,0.6792487274137113,0.5102525943829028 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.78452052e-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=6.597073861819446,0.4131212431054147,0.8943161577333728,101.95454176339315,0.7245775210076801,0.12810919224152095,0.1767229467155813,0.10350659261352968,0.4901618592404198,0.8310950898341525,0.07167844801618051,0.6858658850253352,0.6792487274137113,0.5102525943829028 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 0.0042897799667275995 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9,0.46188136,1.1178644,78.0506,0.12807012,0.27536791,0.10355655,0.82332844,0.83109842,0.50983027,0.68587954,0.92834636,0.51022894,0.32076823 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.59538e+00 -1.36255e+00 -9.43369e-04] (Cartesian), [-9.99991140e-01 -5.00001520e-01 -6.67213406e-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=6.5954393194689995,0.4131781957783405,0.8945520290220211,101.94939996349375,0.7246409453661329,0.12806945175515416,0.17668042247333648,0.10355587978381453,0.4901785858694663,0.8310977522619531,0.07166250489019177,0.6858788706028522,0.6792406349951525,0.5102282720397326 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.71750076e-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=6.5954393194689995,0.4131781957783405,0.8945520290220211,101.94939996349375,0.7246409453661329,0.12806945175515416,0.17668042247333648,0.10355587978381453,0.4901785858694663,0.8310977522619531,0.07166250489019177,0.6858788706028522,0.6792406349951525,0.5102282720397326 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 0.004290236781524183 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9001,0.46182268,1.1175404,78.0564,0.12802363,0.27530869,0.10361013,0.82338811,0.83109956,0.50982363,0.68589198,0.92837609,0.51019953,0.32078939 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.59360e+00 -1.36241e+00 -1.07456e-03] (Cartesian), [-9.99999789e-01 -5.00011518e-01 -1.16846747e-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=6.593602905042023,0.4132425434698202,0.8948166964267623,101.94358006598048,0.7246915162236123,0.12802245883602859,0.17661209886206541,0.1036089573143042,0.49017658547290033,0.8310983900501938,0.07162412350433911,0.685890810667817,0.6792108198381057,0.5101983651734296 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -5.56868025e-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=6.593602905042023,0.4132425434698202,0.8948166964267623,101.94358006598048,0.7246915162236123,0.12802245883602859,0.17661209886206541,0.1036089573143042,0.49017658547290033,0.8310983900501938,0.07162412350433911,0.685890810667817,0.6792108198381057,0.5101983651734296 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 0.004290750611167901 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9002,0.46174706,1.1171655,78.063,0.12797139,0.27524202,0.10367046,0.82345496,0.83110089,0.50981625,0.68590565,0.92840922,0.51016627,0.32081316 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.59148e+00 -1.36220e+00 -1.21450e-03] (Cartesian), [-9.99991043e-01 -5.00002961e-01 8.97093116e-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=6.591539041283222,0.41331528904301207,0.8951138557621581,101.93699248379613,0.7247669358877298,0.1279714828839822,0.17655400030429225,0.10367055268519376,0.4901927033666831,0.8311009759925838,0.07159973925874219,0.6859057365380057,0.6791957954221548,0.5101663624048589 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 6.53149287e-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=6.591539041283222,0.41331528904301207,0.8951138557621581,101.93699248379613,0.7247669358877298,0.1279714828839822,0.17655400030429225,0.10367055268519376,0.4901927033666831,0.8311009759925838,0.07159973925874219,0.6859057365380057,0.6791957954221548,0.5101663624048589 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 0.0042913278783417354 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9003,0.46167144,1.1167568,78.0705,0.12791282,0.27516706,0.10373847,0.82352978,0.83110244,0.50980804,0.68592065,0.92844598,0.51012855,0.32083987 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.58919e+00 -1.36201e+00 -1.38451e-03] (Cartesian), [-9.99995617e-01 -5.00009551e-01 1.23350042e-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=6.589218876261652,0.41339770579659146,0.8954472639993382,101.9295163279866,0.7248373236406414,0.12791294157150834,0.17647460118531066,0.10373858989318041,0.49019634494168884,0.8311025658035773,0.07155840052542128,0.6859207746148788,0.6791645160553688,0.510128668586947 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.00833048e-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=6.589218876261652,0.41339770579659146,0.8954472639993382,101.9295163279866,0.7248373236406414,0.12791294157150834,0.17647460118531066,0.10373858989318041,0.49019634494168884,0.8311025658035773,0.07155840052542128,0.6859207746148788,0.6791645160553688,0.510128668586947 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 0.00429197740045198 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9004,0.46157888,1.1162972,78.079,0.12784701,0.27508262,0.1038151,0.82361355,0.83110427,0.50979894,0.68593701,0.92848684,0.51008579,0.32086987 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.3664 -1.36175 -5.77443] (Cartesian), [-0.99999716 -0.49999916 -0.9999942 ] (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=6.586610308209153,0.413491078831213,0.8958216046939175,101.921031662352,0.7249202160169692,0.12785281352939593,0.17638929114133117,0.10382090469049543,0.4902038943176483,0.8311100702629071,0.07151599697113675,0.6859428099556153,0.6791329701898616,0.5100915892914677 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -2.0164316e-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=6.586610308209153,0.413491078831213,0.8958216046939175,101.921031662352,0.7249202160169692,0.12785281352939593,0.17638929114133117,0.10382090469049543,0.4902038943176483,0.8311100702629071,0.07151599697113675,0.6859428099556153,0.6791329701898616,0.5100915892914677 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 0.004292708023495475 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9006,0.46147849,1.1157679,78.0886,0.12777311,0.27498751,0.10390155,0.82370729,0.83110643,0.50978889,0.68595479,0.92853215,0.51003723,0.32090358 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.44108e-06 -1.36150e+00 -1.30717e-05] (Cartesian), [-1.54952836e-06 -5.00001992e-01 -2.26372557e-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=6.583676093149085,0.41359707105304405,0.8962419037518716,101.91138411169624,0.7250109389886932,0.1277708499677499,0.17629116391108135,0.10389928611004784,0.49020956064248256,0.8311041686530465,0.07146630172383994,0.685952529148607,0.6790948703688948,0.510034968060757 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -6.44431693e-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=6.583676093149085,0.41359707105304405,0.8962419037518716,101.91138411169624,0.7250109389886932,0.1277708499677499,0.17629116391108135,0.10389928611004784,0.49020956064248256,0.8311041686530465,0.07146630172383994,0.685952529148607,0.6790948703688948,0.510034968060757 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 0.00429353018906487 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9007,0.46136899,1.1151897,78.0996,0.12769011,0.27488033,0.10399911,0.82381216,0.831109,0.50977779,0.68597402,0.92858229,0.50998201,0.32094147 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.2186 -2.7224 -5.77349] (Cartesian), [-1.20597598e-06 -9.99993910e-01 -9.99996817e-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=6.580374328383507,0.41371758574419687,0.8967138782794504,101.9003973424679,0.27487912089175515,0.8723130713117335,0.8238109517533037,0.8960040711402772,0.5097765826124072,0.16889418290939284,0.9285810846425615,0.31402916705848494,0.3209402599168967,0.49002117558390923 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.13503919e-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=6.580374328383507,0.41371758574419687,0.8967138782794504,101.9003973424679,0.27487912089175515,0.8723130713117335,0.8238109517533037,0.8960040711402772,0.5097765826124072,0.16889418290939284,0.9285810846425615,0.31402916705848494,0.3209402599168967,0.49002117558390923 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 0.004294455601602979 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9009,0.46125167,1.1145249,78.1121,0.12759688,0.27475942,0.10410935,0.82392939,0.83111207,0.50976559,0.68599469,0.92863774,0.50991913,0.32098406 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.41000e-05 -1.36090e+00 -1.30081e-05] (Cartesian), [-2.56087472e-06 -5.00003434e-01 -2.25186940e-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=6.5766570792497365,0.41385483124558864,0.8972440259175366,101.8878548548383,0.7252380179952116,0.12759462775172414,0.17606804999714143,0.10410709393987738,0.490231846679797,0.8311098174504032,0.07135969528479791,0.6859924354028752,0.6790133827673412,0.5099168793410593 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.77455191e-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=6.5766570792497365,0.41385483124558864,0.8972440259175366,101.8878548548383,0.7252380179952116,0.12759462775172414,0.17606804999714143,0.10410709393987738,0.490231846679797,0.8311098174504032,0.07135969528479791,0.6859924354028752,0.6790133827673412,0.5099168793410593 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 0.00429549784495403 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.901,0.46112523,1.1137943,78.1265,0.1274921,0.274623,0.10423392,0.82406047,0.83111577,0.50975218,0.68601671,0.92869885,0.5098474,0.32103195 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.21655e+00 -5.47956e-06 -5.77423e+00] (Cartesian), [-5.03828212e-07 -2.01374598e-06 -9.99994901e-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=6.572469221530333,0.41401153391267487,0.8978397942759127,101.87352132429268,0.2746224947628153,0.8725129995162799,0.8240599677229075,0.895771178823844,0.5097516722304547,0.16888933032726916,0.9286983500048422,0.3139883877911649,0.32103144780422843,0.49015770317252705 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.89474571e-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=6.572469221530333,0.41401153391267487,0.8978397942759127,101.87352132429268,0.2746224947628153,0.8725129995162799,0.8240599677229075,0.895771178823844,0.5097516722304547,0.16888933032726916,0.9286983500048422,0.3139883877911649,0.32103144780422843,0.49015770317252705 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 0.004296672684806001 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9012,0.46097404,1.1129431,78.1429,0.12737423,0.2744689,0.10437475,0.82420694,0.83112023,0.50973748,0.68603984,0.92876602,0.5097653,0.32108589 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.56768e+00 -1.36015e+00 -3.16754e-03] (Cartesian), [-9.99989750e-01 -4.99999813e-01 5.14654485e-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=6.567747457569536,0.4141908677082653,0.8985096496125624,101.85709609229255,0.7255413537475448,0.12737474029260953,0.17580331277872396,0.10437526381703432,0.49027277105775324,0.8311207422134523,0.07124422846864742,0.6860403536531638,0.6789243640543123,0.5097658119949575 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 9.88246992e-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=6.567747457569536,0.4141908677082653,0.8985096496125624,101.85709609229255,0.7255413537475448,0.12737474029260953,0.17580331277872396,0.10437526381703432,0.49027277105775324,0.8311207422134523,0.07124422846864742,0.6860403536531638,0.6789243640543123,0.5097658119949575 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 0.004297995295905928 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9013,0.46081372,1.1120262,78.1618,0.12724192,0.27429464,0.10453462,0.82437052,0.83112572,0.50972154,0.68606426,0.92883976,0.5096715,0.32114662 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.34852 -1.35969 -5.77877] (Cartesian), [-0.99999682 -0.49998795 -0.99999157] (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=6.562416923723174,0.4143969454930135,0.899263414609088,101.83821040566926,0.7257085350788166,0.1272503459320906,0.17563265955495488,0.104543047976418,0.4902816390086666,0.8311341440647553,0.0711634191033208,0.6860726883649226,0.6788565601306349,0.5096799292163783 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.79405963e-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=6.562416923723174,0.4143969454930135,0.899263414609088,101.83821040566926,0.7257085350788166,0.1272503459320906,0.17563265955495488,0.104543047976418,0.4902816390086666,0.8311341440647553,0.0711634191033208,0.6860726883649226,0.6788565601306349,0.5096799292163783 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 0.00429948811094041 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9015,0.4606456,1.1109718,78.1836,0.1270928,0.2740973,0.10471578,0.82455307,0.83113245,0.50970429,0.6860891,0.92892035,0.50956359,0.32121503 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.46727e-06 -2.71850e+00 -5.13726e-06] (Cartesian), [-6.93202658e-07 -9.99997739e-01 -8.88957780e-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=6.556392033601917,0.4146344716966584,0.900112485549155,101.81643975732511,0.2740966019981439,0.8729063147223308,0.8245523763764266,0.8952833286728685,0.5097036016497332,0.16886666198815004,0.9289196599454916,0.3139100129797381,0.3212143392235016,0.4904355244508607 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.65028256e-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=6.556392033601917,0.4146344716966584,0.900112485549155,101.81643975732511,0.2740966019981439,0.8729063147223308,0.8245523763764266,0.8952833286728685,0.5097036016497332,0.16886666198815004,0.9289196599454916,0.3139100129797381,0.3212143392235016,0.4904355244508607 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 0.004301172075969 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9016,0.46046835,1.1098007,78.2087,0.12692489,0.27387349,0.10492165,0.82475666,0.83114083,0.50968581,0.68611406,0.92900815,0.50943943,0.32129227 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.21036 -1.35876 -5.77614] (Cartesian), [ 4.36371773e-07 -5.00007456e-01 -9.99994270e-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=6.549569440774084,0.41490963670955544,0.9010704133296171,101.79125072402205,0.7261269487492066,0.1269306179797498,0.17524377791619594,0.104927383910276,0.4903146230800872,0.8311465637395399,0.07099228520625589,0.686119794074961,0.6787081702479205,0.509445160818355 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.56910851e-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=6.549569440774084,0.41490963670955544,0.9010704133296171,101.79125072402205,0.7261269487492066,0.1269306179797498,0.17524377791619594,0.104927383910276,0.4903146230800872,0.8311465637395399,0.07099228520625589,0.686119794074961,0.6787081702479205,0.509445160818355 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 0.004303072044393541 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9017,0.46027416,1.1084603,78.238,0.12673552,0.2736192,0.1051558,0.8249835,0.83115142,0.50966626,0.6861382,0.9291034,0.50929621,0.32137976 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.33361 -1.35821 -5.78252] (Cartesian), [-0.99999495 -0.50001051 -0.99999322] (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=6.541825697548239,0.4152300902680077,0.9021535613353836,101.76199289109631,0.7263858531019567,0.126742301157041,0.17502154425875904,0.10516258515395682,0.49033879223165355,0.8311581987117092,0.07090164928021281,0.6861449842542688,0.6786252899840197,0.5093029948818466 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.92056058e-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=6.541825697548239,0.4152300902680077,0.9021535613353836,101.76199289109631,0.7263858531019567,0.126742301157041,0.17502154425875904,0.10516258515395682,0.49033879223165355,0.8311581987117092,0.07090164928021281,0.6861449842542688,0.6786252899840197,0.5093029948818466 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 0.004305218044190796 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9018,0.46006303,1.1069504,78.2721,0.12652166,0.2733295,0.10542337,0.82523566,0.83116487,0.50964593,0.68616089,0.92920613,0.50913023,0.32147869 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.32733 -1.35761 -5.78417] (Cartesian), [-0.99999898 -0.50001082 -0.99999992] (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=6.53300480640859,0.4156068039227512,0.9033821206463338,101.72786222965885,0.7266715175214891,0.12652174636824132,0.17476535340033506,0.10542344904619316,0.49035508442105624,0.8311649565706194,0.07079488431524572,0.6861609703864144,0.678522328523844,0.5091303092687829 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.64872662e-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=6.53300480640859,0.4156068039227512,0.9033821206463338,101.72786222965885,0.7266715175214891,0.12652174636824132,0.17476535340033506,0.10542344904619316,0.49035508442105624,0.8311649565706194,0.07079488431524572,0.6861609703864144,0.678522328523844,0.5091303092687829 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 0.004307636611280026 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9018,0.45984276,1.1052391,78.3121,0.12627954,0.27299877,0.10572929,0.8255152,0.83118234,0.50962552,0.68618029,0.92931636,0.50893754,0.32159147 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.32017 -1.35695 -5.78599] (Cartesian), [-0.99999703 -0.50000359 -0.99999466] (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=6.52291181139755,0.4160535310545808,0.9047824631600917,101.68785086805381,0.7270042049395571,0.1262848781453365,0.17448776916752906,0.1057346321435082,0.4903774528788529,0.8311876872853032,0.07068660803037385,0.6861856334563763,0.6784115023988022,0.5089428846969146 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.36045548e-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=6.52291181139755,0.4160535310545808,0.9047824631600917,101.68785086805381,0.7270042049395571,0.1262848781453365,0.17448776916752906,0.1057346321435082,0.4903774528788529,0.8311876872853032,0.07068660803037385,0.6861856334563763,0.6784115023988022,0.5089428846969146 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 0.004310352362118936 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9018,0.45960554,1.1032736,78.3595,0.12600488,0.27262021,0.10608011,0.82582311,0.83120545,0.50960609,0.68619437,0.92943399,0.5087131,0.32172087 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.98284e-06 -1.35624e+00 -1.65274e-05] (Cartesian), [-1.59871840e-06 -4.99988544e-01 -2.85745269e-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=6.511279062709793,0.41659129078109164,0.906390262410484,101.64052402579125,0.727378189973944,0.12600202735383004,0.17417528907681978,0.10607725244706279,0.49039231088017354,0.8312025893406734,0.07056441221061016,0.6861915116992878,0.6782775351063093,0.508710242106039 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -5.02270076e-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=6.511279062709793,0.41659129078109164,0.906390262410484,101.64052402579125,0.727378189973944,0.12600202735383004,0.17417528907681978,0.10607725244706279,0.49039231088017354,0.8312025893406734,0.07056441221061016,0.6861915116992878,0.6782775351063093,0.508710242106039 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 0.004313361945869408 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9016,0.45940084,1.1010065,78.4159,0.12569212,0.27218715,0.10648456,0.82615634,0.83123675,0.50959011,0.68620156,0.92955901,0.50844997,0.32187069 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.19517e+00 -6.74248e-14 -5.77932e+00] (Cartesian), [ 3.46419874e-07 -2.48685574e-14 -1.00000071e+00] (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=6.4976998791958085,0.4172552425839748,0.9082603054784558,101.58409506588394,0.2721874964092281,0.8743071753458838,0.8261566888398004,0.8935147359678846,0.5095904516169374,0.16876254103513033,0.92955935809516,0.3137977301364865,0.32187103783358006,0.49154932431135023 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.23473975e-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=6.4976998791958085,0.4172552425839748,0.9082603054784558,101.58409506588394,0.2721874964092281,0.8743071753458838,0.8261566888398004,0.8935147359678846,0.5095904516169374,0.16876254103513033,0.92955935809516,0.3137977301364865,0.32187103783358006,0.49154932431135023 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 0.004316470256153202 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9013,0.45922085,1.0983004,78.4848,0.12533809,0.27170378,0.10695342,0.82648889,0.83128069,0.50958329,0.6862035,0.9296931,0.50813868,0.3220472 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.42726e-05 -1.35499e+00 -1.86058e-05] (Cartesian), [-2.79200576e-06 -4.99992563e-01 -3.21244040e-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=6.481355639911996,0.4181255370517524,0.9104965161828432,101.51515541875196,0.7282934293768526,0.1253348743525482,0.17350832031600705,0.10695020606788552,0.49041391365324283,0.8312774808152166,0.07030410302786794,0.686200284306806,0.677950004451265,0.5081354686412212 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.84565249e-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=6.481355639911996,0.4181255370517524,0.9104965161828432,101.51515541875196,0.7282934293768526,0.1253348743525482,0.17350832031600705,0.10695020606788552,0.49041391365324283,0.8312774808152166,0.07030410302786794,0.686200284306806,0.677950004451265,0.5081354686412212 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 0.004298702929592231 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8123,0.47953478,1.0855255,79.8812,0.12462251,0.27051466,0.11694307,0.82363548,0.83391673,0.51209587,0.6872294,0.92583699,0.49899784,0.32666211 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.30884 -1.39359 -0.0834191] (Cartesian), [-9.99994895e-01 -4.99989009e-01 -1.94742925e-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=6.309425684690079,0.44175831675930266,0.9212016702164643,100.1188134253429,0.7294904468520476,0.12462056747135941,0.17636962998946926,0.11694111846332511,0.4879092374162999,0.8339147803812796,0.07416811553006131,0.6872274504382121,0.673342996091058,0.4989958972729771 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.54963006e-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=6.309425684690079,0.44175831675930266,0.9212016702164643,100.1188134253429,0.7294904468520476,0.12462056747135941,0.17636962998946926,0.11694111846332511,0.4879092374162999,0.8339147803812796,0.07416811553006131,0.6872274504382121,0.673342996091058,0.4989958972729771 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 0.004306364351084196 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8136,0.47910073,1.081447,79.9808,0.12402754,0.26950365,0.11734766,0.82442615,0.83402692,0.51202919,0.68703598,0.92590882,0.49863,0.32689626 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.09008 -1.39264 -5.71048] (Cartesian), [-4.35161933e-07 -4.99989978e-01 -9.99996749e-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=6.287080375939238,0.4430253251858312,0.9246918123336322,100.01920104445152,0.7304959174966057,0.12403078735858974,0.175573415682877,0.11735091070638637,0.48797037073027205,0.8340301740870992,0.07409074036655117,0.6870392297606851,0.6731033055828557,0.498633251252909 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -1.9292564e-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=6.287080375939238,0.4430253251858312,0.9246918123336322,100.01920104445152,0.7304959174966057,0.12403078735858974,0.175573415682877,0.11735091070638637,0.48797037073027205,0.8340301740870992,0.07409074036655117,0.6870392297606851,0.6731033055828557,0.498633251252909 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 0.0043132902852264675 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.817,0.47820182,1.0774282,80.0362,0.12346755,0.26866079,0.11759581,0.82529001,0.8340834,0.51186312,0.6867133,0.92586727,0.49848951,0.3271063 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.29722e-06 -1.39085e+00 -1.73090e-05] (Cartesian), [-1.84405560e-06 -4.99997982e-01 -3.00074110e-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=6.267373165592864,0.4438400515022801,0.9281329639627858,99.96377724124532,0.7313373625157753,0.1234645507510852,0.1747081500333605,0.11759280901235392,0.4881350357070495,0.8340803964620718,0.07413088713860683,0.6867102976873316,0.6728918528245906,0.49848650758059154 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.97882301e-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=6.267373165592864,0.4438400515022801,0.9281329639627858,99.96377724124532,0.7313373625157753,0.1234645507510852,0.1747081500333605,0.11759280901235392,0.4881350357070495,0.8340803964620718,0.07413088713860683,0.6867102976873316,0.6728918528245906,0.49848650758059154 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 0.004317686226216785 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8236,0.47652655,1.0740779,80.0036,0.12305075,0.26826607,0.11755298,0.82614291,0.83401725,0.51153696,0.68622655,0.92566582,0.49881317,0.3272211 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.25444e+00 -5.94798e-06 -8.35250e-02] (Cartesian), [-9.99999044e-01 -2.14335734e-06 -2.10740604e-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=6.255005803888771,0.4436568584698812,0.9310252412817426,99.99644508796463,0.2682670264669813,0.8769471389716177,0.8261438652597679,0.8824449130191121,0.5115379180565851,0.16598063827933363,0.9256667743122837,0.3137713449321282,0.3272220605797074,0.5011847261906035 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.43363257e-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=6.255005803888771,0.4436568584698812,0.9310252412817426,99.99644508796463,0.2682670264669813,0.8769471389716177,0.8261438652597679,0.8824449130191121,0.5115379180565851,0.16598063827933363,0.9256667743122837,0.3137713449321282,0.3272220605797074,0.5011847261906035 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 0.004322955451656722 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8312,0.47461929,1.0702257,79.9692,0.12256656,0.26777194,0.1175077,0.82714302,0.83395521,0.51117838,0.68562539,0.92542772,0.49917427,0.32735837 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.15149 -1.3838 -5.80812] (Cartesian), [-0.99999767 -0.50000147 -0.99999382] (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=6.240703042062013,0.4434743711713163,0.934385337710036,100.0307628735333,0.732230393346804,0.1225727435434727,0.17285931270456212,0.11751387845325967,0.48882394878110924,0.8339613947581705,0.074574608648184,0.6856315730752702,0.6726439599136302,0.49918044832666464 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.62566232e-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=6.240703042062013,0.4434743711713163,0.934385337710036,100.0307628735333,0.732230393346804,0.1225727435434727,0.17285931270456212,0.11751387845325967,0.48882394878110924,0.8339613947581705,0.074574608648184,0.6856315730752702,0.6726439599136302,0.49918044832666464 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 0.0043294133558524125 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8402,0.47244957,1.0656827,79.9339,0.12200013,0.26713452,0.11746157,0.8283405,0.83390639,0.51078457,0.68486578,0.92513827,0.49957488,0.32752727 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.13335e+00 -1.14515e-05 -5.81257e+00] (Cartesian), [-9.99991660e-01 -4.15036612e-06 -9.99999427e-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=6.223836282419145,0.44332049355430203,0.9383597779969332,100.0660668546965,0.26714285622543743,0.8780004384284674,0.8283488367398255,0.8825390016685084,0.510792905078242,0.1660941819414674,0.9251466140058988,0.3151347957117365,0.32753560830573325,0.5004256952988597 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.15741516e-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=6.223836282419145,0.44332049355430203,0.9383597779969332,100.0660668546965,0.26714285622543743,0.8780004384284674,0.8283488367398255,0.8825390016685084,0.510792905078242,0.1660941819414674,0.9251466140058988,0.3151347957117365,0.32753560830573325,0.5004256952988597 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 0.004337615264970202 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8509,0.46994479,1.0602301,79.8989,0.12133401,0.2662753,0.11741697,0.82982073,0.83388829,0.5103512,0.68387065,0.92477506,0.50001316,0.32774314 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.11178 -1.37479 -5.81827] (Cartesian), [-0.99999325 -0.49998819 -0.99999693] (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=6.203329131543824,0.443253112684909,0.9431890196442377,100.10110635189008,0.7337314552399514,0.12133708670072663,0.17018602378404957,0.11742004007262707,0.4896555501574471,0.8338913591898067,0.07523169384278039,0.683873725344923,0.6722636117080056,0.5000162353105857 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.16745453e-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=6.203329131543824,0.443253112684909,0.9431890196442377,100.10110635189008,0.7337314552399514,0.12133708670072663,0.17018602378404957,0.11742004007262707,0.4896555501574471,0.8338913591898067,0.07523169384278039,0.683873725344923,0.6722636117080056,0.5000162353105857 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 0.004348798602204959 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8639,0.46709528,1.0533774,79.8653,0.12056518,0.26501871,0.11737527,0.83175738,0.83394159,0.5098721,0.68246344,0.92430895,0.50047327,0.32803671 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.20011e-05 -1.36950e+00 -1.93623e-05] (Cartesian), [-2.53213097e-06 -4.99996919e-01 -3.33247842e-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=6.176863622821951,0.44343165818006586,0.9493250244912605,100.13468155770944,0.7349787607111835,0.1205618442817753,0.16824008995529205,0.1173719334555563,0.490125364776278,0.8339382545551435,0.07568852058569964,0.6824601109549839,0.6719607621458905,0.5004699363848792 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.49375307e-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=6.176863622821951,0.44343165818006586,0.9493250244912605,100.13468155770944,0.7349787607111835,0.1205618442817753,0.16824008995529205,0.1173719334555563,0.490125364776278,0.8339382545551435,0.07568852058569964,0.6824601109549839,0.6719607621458905,0.5004699363848792 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 0.004376007005186659 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8714,0.46338182,1.0417788,79.6137,0.12204897,0.25821618,0.11937198,0.83833726,0.83405852,0.50815552,0.6757345,0.92332475,0.5018111,0.3288732 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.10017e+00 -2.98587e-06 -5.76740e+00] (Cartesian), [-5.39180316e-07 -1.09746870e-06 -9.99998922e-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=6.116685359148594,0.4447977809430927,0.9598992543841425,100.3862930468121,0.25821564328741897,0.8779521080434036,0.8383367178571199,0.8806290932955103,0.5081549787328461,0.16594256296750975,0.9233242060422886,0.32426658245807394,0.32887265947761657,0.49818997839818335 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.98875911e-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=6.116685359148594,0.4447977809430927,0.9598992543841425,100.3862930468121,0.25821564328741897,0.8779521080434036,0.8383367178571199,0.8806290932955103,0.5081549787328461,0.16594256296750975,0.9233242060422886,0.32426658245807394,0.32887265947761657,0.49818997839818335 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 0.00437320761828597 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8626,0.47627333,1.0056971,100.775,0.76420154,0.11761507,0.15227119,0.12082691,0.48655982,0.83892936,0.074399377,0.66943611,0.6665037,0.49820849 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.86259e+00 -2.79220e+00 1.68116e-03] (Cartesian), [-9.99993914e-01 -9.99997637e-01 -1.82682773e-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=5.862627936336809,0.4762721816533271,1.0056851346489009,100.77504994800537,0.23580454152935482,0.8823831043654322,0.8477348956424651,0.8791712654111108,0.5134462697586581,0.16106881474549573,0.9256067090097173,0.3305620654173622,0.333502383695897,0.5017896802951487 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.50689577e-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=5.862627936336809,0.4762721816533271,1.0056851346489009,100.77504994800537,0.23580454152935482,0.8823831043654322,0.8477348956424651,0.8791712654111108,0.5134462697586581,0.16106881474549573,0.9256067090097173,0.3305620654173622,0.333502383695897,0.5017896802951487 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 0.004371420995236841 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8632,0.47637809,0.99902783,100.6541,0.88105652,0.23580341,0.87869637,0.84792255,0.16109148,0.51273971,0.33104287,0.92587175,0.5032468,0.33380089 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.09094e+00 -3.09013e-06 -5.76080e+00] (Cartesian), [-4.16586407e-07 -1.10634909e-06 -9.99990016e-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=5.857478611000618,0.47684128995982916,1.0009846899032697,100.6541121633164,0.2358029953275551,0.88106650047675,0.8479221355147908,0.87870635898939,0.5127392918206375,0.16110146107309387,0.9258713347270595,0.3310528492963596,0.33380047752466835,0.5032567841522337 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.80086478e-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=5.857478611000618,0.47684128995982916,1.0009846899032697,100.6541121633164,0.2358029953275551,0.88106650047675,0.8479221355147908,0.87870635898939,0.5127392918206375,0.16110146107309387,0.9258713347270595,0.3310528492963596,0.33380047752466835,0.5032567841522337 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 0.0043714510318259465 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8318,0.47877156,1.0034638,79.451,0.12002248,0.23598016,0.12182683,0.84793112,0.83882374,0.51207345,0.66847967,0.92610823,0.49565308,0.33403937 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.43974e-05 -2.89202e-06 -1.17467e-05] (Cartesian), [-2.83800143e-06 -1.03579098e-06 -2.04250722e-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=5.85196240735356,0.47712001909066565,0.9965495768257117,100.54901599260718,0.23597732275799155,0.8799754728880291,0.8479282794564689,0.8781711243285568,0.5120706135627844,0.16117421365977114,0.9261053901294534,0.3315182829748413,0.33403652929610184,0.5043448798622241 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.01643099e-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=5.85196240735356,0.47712001909066565,0.9965495768257117,100.54901599260718,0.23597732275799155,0.8799754728880291,0.8479282794564689,0.8781711243285568,0.5120706135627844,0.16117421365977114,0.9261053901294534,0.3315182829748413,0.33403652929610184,0.5043448798622241 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 0.004399922860128201 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7533,0.48327047,1.0209445,79.3197,0.1151589,0.23887471,0.12455217,0.84808825,0.8369045,0.51352118,0.66765976,0.92266699,0.50416732,0.33221752 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.49816e-06 -1.94388e-06 -8.04596e-06] (Cartesian), [-6.87518390e-07 -6.99138771e-07 -1.42182013e-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=5.873789991304639,0.4733557419709895,0.9794825515355762,100.6802650643978,0.23887401919722562,0.8848396808858876,0.8480875656328619,0.8754464048716639,0.5135204890701472,0.16309408307506024,0.9226663073435777,0.3323388165155996,0.33221683460996987,0.49583125905007663 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -9.34885919e-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=5.873789991304639,0.4733557419709895,0.9794825515355762,100.6802650643978,0.23887401919722562,0.8848396808858876,0.8480875656328619,0.8754464048716639,0.5135204890701472,0.16309408307506024,0.9226663073435777,0.3323388165155996,0.33221683460996987,0.49583125905007663 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 0.0044015867185643225 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.71,0.48686515,1.0278984,79.4346,0.11604466,0.23924825,0.12539637,0.84826338,0.83674544,0.51307085,0.66708998,0.92260172,0.50337696,0.33235674 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.79623 -2.77999 -5.6355 ] (Cartesian), [-0.99999858 -0.99998741 -0.99999185] (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=5.869308286170325,0.4736546227623463,0.9728638563649966,100.56542232362233,0.239249677321415,0.8839634865241848,0.8482648039087857,0.8746117830471474,0.5130722719231589,0.16326270845815594,0.9226031431735366,0.33291817010704494,0.3323581670508695,0.49663118459846434 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.01130898e-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=5.869308286170325,0.4736546227623463,0.9728638563649966,100.56542232362233,0.239249677321415,0.8839634865241848,0.8482648039087857,0.8746117830471474,0.5130722719231589,0.16326270845815594,0.9226031431735366,0.33291817010704494,0.3323581670508695,0.49663118459846434 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 0.0044154728214869194 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6299,0.50253113,1.0253113,79.8467,0.1208206,0.24124219,0.1250026,0.84453238,0.83793951,0.51349891,0.66782302,0.92439587,0.4992004,0.33350152 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.73547 -2.8292 -5.57977] (Cartesian), [-0.99998987 -0.99999786 -0.99999857] (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=5.772443493254597,0.49012278057180814,0.9753060718516879,100.15327498993267,0.24125231463124974,0.8791808284432325,0.8445425113798772,0.8749988284366399,0.5135090368769473,0.16206192735310965,0.9244060007996846,0.33217841041201734,0.3335116502569737,0.5008010330048207 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.71354243e-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=5.772443493254597,0.49012278057180814,0.9753060718516879,100.15327498993267,0.24125231463124974,0.8791808284432325,0.8445425113798772,0.8749988284366399,0.5135090368769473,0.16206192735310965,0.9244060007996846,0.33217841041201734,0.3335116502569737,0.5008010330048207 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 0.004420406058594213 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6115,0.50154148,1.0276753,79.847,0.12089853,0.2418892,0.12556227,0.84459775,0.83744294,0.51306094,0.66719469,0.92465489,0.49961949,0.3333868 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.15762e-05 -1.40720e+00 -7.79588e-06] (Cartesian), [-2.25755683e-06 -4.99997145e-01 -1.39413416e-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=5.766769893555491,0.48804029334955606,0.973071627459079,100.15299967111113,0.7581085426582717,0.1208971341661984,0.15539999316598707,0.1255608762273226,0.48693680433733455,0.8374415451218977,0.07534284955725368,0.6671932947734731,0.6666109405389626,0.49961809774037036 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.22848148e-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=5.766769893555491,0.48804029334955606,0.973071627459079,100.15299967111113,0.7581085426582717,0.1208971341661984,0.15539999316598707,0.1255608762273226,0.48693680433733455,0.8374415451218977,0.07534284955725368,0.6671932947734731,0.6666109405389626,0.49961809774037036 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 0.0044255583812075495 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5917,0.50052757,1.0301876,79.8489,0.12099004,0.24257196,0.12612526,0.84467165,0.83692291,0.51258602,0.6665617,0.92493783,0.50003565,0.33326326 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.03191 -2.7988 -5.49565] (Cartesian), [-4.10257375e-07 -9.99998950e-01 -9.99991696e-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=5.760469959124153,0.4858636462780574,0.9707086048565524,100.1510980338519,0.24257154481701426,0.8790182665418964,0.844671240145793,0.8738830409478706,0.5125856109899041,0.1630853929852747,0.9249374167921769,0.3334466005773473,0.33326284912233084,0.4999726541996541 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.42738475e-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=5.760469959124153,0.4858636462780574,0.9707086048565524,100.1510980338519,0.24257154481701426,0.8790182665418964,0.844671240145793,0.8738830409478706,0.5125856109899041,0.1630853929852747,0.9249374167921769,0.3334466005773473,0.33326284912233084,0.4999726541996541 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 0.004430876007523136 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5725,0.50038582,1.0314581,79.7411,0.12079345,0.24325047,0.12669988,0.84485104,0.83646363,0.51251731,0.666005,0.9249407,0.50109805,0.33324083 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.74762 -2.78839 -0.0437504] (Cartesian), [-9.99992053e-01 -9.99984159e-01 -2.06512687e-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=5.747834237503635,0.4851277986233963,0.9694869261804341,100.25894549649468,0.24325842108939622,0.8792044876451253,0.844858991492333,0.8732980555881951,0.5125252612975277,0.16353430106046707,0.9249486475683617,0.3339929393659684,0.33324878097535504,0.49889988077335 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.66446106e-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=5.747834237503635,0.4851277986233963,0.9694869261804341,100.25894549649468,0.24325842108939622,0.8792044876451253,0.844858991492333,0.8732980555881951,0.5125252612975277,0.16353430106046707,0.9249486475683617,0.3339929393659684,0.33324878097535504,0.49889988077335 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 0.004443928525473134 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.548,0.49803533,1.0376532,79.8741,0.11952211,0.24470384,0.12702622,0.84427721,0.83495888,0.5121596,0.66536257,0.92458139,0.50414622,0.33264264 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.75664 -1.38156 -0.0535842] (Cartesian), [-9.99994076e-01 -5.00011651e-01 -1.05701705e-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=5.756924517402292,0.47995342091514165,0.9637018506160576,100.1258819798592,0.755302084529748,0.11952105135148239,0.1557287129178775,0.12702516532398955,0.4878463232781898,0.8349578276462928,0.07542453625819534,0.6653615121381897,0.6673632856532306,0.5041451642301846 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 1.9887913e-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=5.756924517402292,0.47995342091514165,0.9637018506160576,100.1258819798592,0.755302084529748,0.11952105135148239,0.1557287129178775,0.12702516532398955,0.4878463232781898,0.8349578276462928,0.07542453625819534,0.6653615121381897,0.6673632856532306,0.5041451642301846 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 0.004447505043033634 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5001,0.50211814,1.0431629,79.9572,0.12084983,0.24543515,0.12790831,0.84397427,0.83485526,0.51186395,0.66494973,0.92491097,0.50290251,0.33269685 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.72124e+00 -3.50550e-06 -5.46568e+00] (Cartesian), [-9.99995816e-01 -1.26933332e-06 -9.99989851e-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=5.737512686089788,0.48133853656047426,0.9586275339622675,100.04277502523816,0.24543933470064472,0.8791603175418197,0.843978449377428,0.8721018443221413,0.5118681314920288,0.16515488790708033,0.9249151501372281,0.3350604203119876,0.33270103518520044,0.497107636149571 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 1.4687124e-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=5.737512686089788,0.48133853656047426,0.9586275339622675,100.04277502523816,0.24543933470064472,0.8791603175418197,0.843978449377428,0.8721018443221413,0.5118681314920288,0.16515488790708033,0.9249151501372281,0.3350604203119876,0.33270103518520044,0.497107636149571 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 0.00445189743893843 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4548,0.50526142,1.0486911,80.0387,0.12204487,0.24621512,0.12872723,0.84354699,0.83467896,0.5114902,0.66459169,0.92546258,0.50178859,0.33266754 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.00624 -2.7561 -5.36117] (Cartesian), [-1.14440857e-07 -9.99998065e-01 -9.99988665e-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=5.720388764496535,0.4818038505476356,0.9535794926353386,99.96127240112136,0.2462150023851306,0.8779664643091478,0.8435468741746559,0.8712841034467877,0.5114900837988914,0.16533237622806407,0.9254624680404824,0.335419645009047,0.33266743034249613,0.4982227460229187 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 2.0984523e-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=5.720388764496535,0.4818038505476356,0.9535794926353386,99.96127240112136,0.2462150023851306,0.8779664643091478,0.8435468741746559,0.8712841034467877,0.5114900837988914,0.16533237622806407,0.9254624680404824,0.335419645009047,0.33266743034249613,0.4982227460229187 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 0.004456688652182553 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4178,0.50686626,1.0527336,80.0416,0.12273546,0.24697883,0.12937902,0.84335359,0.83434773,0.51116625,0.66422781,0.92598569,0.50148572,0.33258696 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.70309e+00 -9.19686e-06 -6.86658e-02] (Cartesian), [-1.00000067e+00 -3.34910714e-06 -9.44048171e-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=5.703500419884951,0.4814698051739918,0.9499026189515783,99.95837118491832,0.2469781649116891,0.8772635932301995,0.843352923777752,0.8706200382251241,0.5111655750050008,0.16565132095837787,0.9259850221780257,0.3357712481182866,0.33258629387420946,0.49851333569868794 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.38826587e-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=5.703500419884951,0.4814698051739918,0.9499026189515783,99.95837118491832,0.2469781649116891,0.8772635932301995,0.843352923777752,0.8706200382251241,0.5111655750050008,0.16565132095837787,0.9259850221780257,0.3357712481182866,0.33258629387420946,0.49851333569868794 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 0.0044718720097470105 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4514,0.50086216,1.0237187,80.1151,0.11663519,0.23628426,0.13120175,0.84629403,0.83553758,0.51206863,0.66144177,0.92573029,0.50116626,0.33443351 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.29448e-06 -2.73039e+00 -1.61720e-05] (Cartesian), [-1.30268865e-06 -9.99979906e-01 -3.00297140e-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=5.580687163201102,0.4892667850090409,0.9768253740261401,99.88493351839435,0.23628295335341298,0.8833618054654628,0.8462927275207004,0.8687952468990296,0.5120673303480752,0.16445941302510425,0.9257289893425771,0.3385552244052794,0.3344322085848517,0.49883073204427264 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 6.87584852e-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=5.580687163201102,0.4892667850090409,0.9768253740261401,99.88493351839435,0.23628295335341298,0.8833618054654628,0.8462927275207004,0.8687952468990296,0.5120673303480752,0.16445941302510425,0.9257289893425771,0.3385552244052794,0.3344322085848517,0.49883073204427264 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 0.004478389776096892 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4121,0.50228192,1.0265516,80.1907,0.11650453,0.23597958,0.13244366,0.84622316,0.83533428,0.51195279,0.66061088,0.92574086,0.5007931,0.33472264 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.981322 -2.7184 -5.32238 ] (Cartesian), [ 7.00793477e-07 -9.99997375e-01 -9.99992059e-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=5.5557941932043144,0.48929226695146016,0.9741420318182862,99.80926375311545,0.23598028043035968,0.8835034077813941,0.8462238612128345,0.8675642816571605,0.5119534931292673,0.1646736653055494,0.925741556970822,0.3393970632835699,0.33472334203395215,0.4992148401524943 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -9.87666308e-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=5.5557941932043144,0.48929226695146016,0.9741420318182862,99.80926375311545,0.23598028043035968,0.8835034077813941,0.8462238612128345,0.8675642816571605,0.5119534931292673,0.1646736653055494,0.925741556970822,0.3393970632835699,0.33472334203395215,0.4992148401524943 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 0.0044858965956670925 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.374,0.50353554,1.0284518,80.249,0.11613008,0.23547609,0.13372351,0.84614122,0.83513208,0.51193249,0.65975307,0.92573278,0.50062137,0.33504714 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.55394 -2.706 -5.35043] (Cartesian), [-0.99999646 -0.99999506 -0.99999333] (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=5.526909703641232,0.48960694157980894,0.9723387979095198,99.75096459578225,0.23547963859657228,0.8838765849954524,0.8461447614460509,0.8662831585990203,0.5119360299589257,0.16487458550154566,0.9257363262904472,0.3402535906626529,0.33505068510233205,0.4993852916184909 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -9.94655824e-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=5.526909703641232,0.48960694157980894,0.9723387979095198,99.75096459578225,0.23547963859657228,0.8838765849954524,0.8461447614460509,0.8662831585990203,0.5119360299589257,0.16487458550154566,0.9257363262904472,0.3402535906626529,0.33505068510233205,0.4993852916184909 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 0.004493896630650288 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.336,0.50464768,1.0298726,80.303,0.11570041,0.23491582,0.13499824,0.84601299,0.83491753,0.51192334,0.65890845,0.92580422,0.50047847,0.33536448 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.49949e-05 -2.69279e+00 -1.07889e-05] (Cartesian), [-3.08243093e-06 -9.99986550e-01 -2.01576874e-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=5.495358409641354,0.4900183057941946,0.9709958033734583,99.69695483910965,0.23491273491284304,0.8842975785937486,0.8460099095664086,0.8649997397364828,0.5119202606888307,0.16508045808231553,0.9258011349110458,0.341089534725326,0.3353614018031066,0.49951951583674825 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 1.84151103e-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=5.495358409641354,0.4900183057941946,0.9709958033734583,99.69695483910965,0.23491273491284304,0.8842975785937486,0.8460099095664086,0.8649997397364828,0.5119202606888307,0.16508045808231553,0.9258011349110458,0.341089534725326,0.3353614018031066,0.49951951583674825 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 0.004502083023528268 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.2978,0.50554947,1.0311261,80.3525,0.11523447,0.23436065,0.13626992,0.84584647,0.83467688,0.5119176,0.65808241,0.92593729,0.50035933,0.33565849 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.61804e-05 -2.67829e+00 -1.66068e-05] (Cartesian), [-3.51125889e-06 -9.99984427e-01 -3.13936952e-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=5.46265365036348,0.4902986498932507,0.969813275077019,99.64745930447421,0.23435714251635442,0.8847623944842287,0.8458429607067488,0.8637269387711615,0.5119140851710566,0.16531998099765843,0.9259337836836257,0.34191444995911935,0.33565498032504104,0.49963753492015206 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.05739153e-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=5.46265365036348,0.4902986498932507,0.969813275077019,99.64745930447421,0.23435714251635442,0.8847623944842287,0.8458429607067488,0.8637269387711615,0.5119140851710566,0.16531998099765843,0.9259337836836257,0.34191444995911935,0.33565498032504104,0.49963753492015206 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 0.004509842619619538 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.2633,0.50544335,1.0319571,80.3373,0.11436494,0.23364506,0.13767505,0.84563649,0.83431728,0.51195686,0.65731743,0.92610875,0.50022509,0.33585258 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.43104e+00 -6.18866e-06 -6.98285e-02] (Cartesian), [-9.99994360e-01 -2.32632321e-06 -1.56720972e-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=5.431520904193638,0.48978458821354576,0.9690201675171767,99.66267708726609,0.233650702043678,0.8856334882605483,0.8456421304795403,0.8623233786782898,0.51196249802104,0.16568115633171399,0.9261143878271878,0.3426810031689358,0.3358582243776642,0.49977333905990484 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.02165452e-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=5.431520904193638,0.48978458821354576,0.9690201675171767,99.66267708726609,0.233650702043678,0.8856334882605483,0.8456421304795403,0.8623233786782898,0.51196249802104,0.16568115633171399,0.9261143878271878,0.3426810031689358,0.3358582243776642,0.49977333905990484 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 0.004517181554327461 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.2324,0.50431924,1.0324325,80.2451,0.11303054,0.23274369,0.13926858,0.84537318,0.83382133,0.51208054,0.65662419,0.92629212,0.50003751,0.33595076 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.45289e+00 -2.44129e-07 -5.21096e+00] (Cartesian), [-9.99999450e-01 -9.25151929e-08 -1.00000026e+00] (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=5.402104407922537,0.4884761225622651,0.9685854389826941,99.75486829448127,0.23274423543739942,0.8869692001902578,0.8453737313567191,0.860731159784581,0.5120810939388358,0.16617841206713901,0.9262926705447307,0.34337555199582037,0.33595130574992194,0.49996223579758414 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.25643997e-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=5.402104407922537,0.4884761225622651,0.9685854389826941,99.75486829448127,0.23274423543739942,0.8869692001902578,0.8453737313567191,0.860731159784581,0.5120810939388358,0.16617841206713901,0.9262926705447307,0.34337555199582037,0.33595130574992194,0.49996223579758414 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 0.004526086338710431 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.1861,0.5061607,1.0342454,80.3234,0.11271186,0.23227968,0.14057708,0.84505698,0.83359784,0.51217768,0.65584697,0.92646635,0.49980136,0.33634974 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.36324 -2.62499 -0.0693142] (Cartesian), [-9.99992664e-01 -9.99980603e-01 -4.34516660e-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=5.363727612135565,0.4894060822072526,0.9668808329390918,99.67662283656539,0.23228701454931722,0.8872877016693357,0.8450643147493753,0.8594224859551964,0.5121850198837172,0.16640172159804179,0.926473687051685,0.3441525996410957,0.33635707310984664,0.500198203330593 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.84691263e-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=5.363727612135565,0.4894060822072526,0.9668808329390918,99.67662283656539,0.23228701454931722,0.8872877016693357,0.8450643147493753,0.8594224859551964,0.5121850198837172,0.16640172159804179,0.926473687051685,0.3441525996410957,0.33635707310984664,0.500198203330593 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 0.004538467997311324 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.1363,0.50810895,1.0371474,80.5387,0.11251811,0.23240166,0.14180345,0.84492046,0.83343435,0.51208456,0.65504945,0.92660427,0.49952034,0.33690642 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.52386e-06 -2.60979e+00 -1.68994e-05] (Cartesian), [-1.23607989e-06 -9.99987094e-01 -3.32475762e-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=5.327086417825918,0.48991577714528073,0.9641765801886794,99.46128409272171,0.23240042002330763,0.8874785687564217,0.8449192234680134,0.8581932216332238,0.512083321805076,0.16656232980679642,0.9266030359179889,0.3449472284502313,0.33690518846534,0.5004763401463197 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.97800783e-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=5.327086417825918,0.48991577714528073,0.9641765801886794,99.46128409272171,0.23240042002330763,0.8874785687564217,0.8449192234680134,0.8581932216332238,0.512083321805076,0.16656232980679642,0.9266030359179889,0.3449472284502313,0.33690518846534,0.5004763401463197 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 0.004547235470227332 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.0902,0.50962634,1.0385839,80.5973,0.11209243,0.23185966,0.14313537,0.84453636,0.83322718,0.51220677,0.65435855,0.92691327,0.49926641,0.337259 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.72099e-06 -2.59410e+00 -1.51367e-05] (Cartesian), [-1.40952286e-06 -9.99999584e-01 -2.99912099e-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=5.2865820872762965,0.4906953182144239,0.9628443827663765,99.4026561458714,0.23185824945250766,0.8879045675989996,0.8445349488576102,0.8568616293373039,0.5122053569980562,0.16676982159376452,0.9269118562956353,0.3456384542445048,0.3372575870816623,0.5007305896005636 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.88081172e-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=5.2865820872762965,0.4906953182144239,0.9628443827663765,99.4026561458714,0.23185824945250766,0.8879045675989996,0.8445349488576102,0.8568616293373039,0.5122053569980562,0.16676982159376452,0.9269118562956353,0.3456384542445048,0.3372575870816623,0.5007305896005636 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 0.004554265184743359 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.0425,0.51163114,1.039524,80.5954,0.11172172,0.23101443,0.14446018,0.84397086,0.83305395,0.51248254,0.6536963,0.92727605,0.49902616,0.33758869 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.03639e-06 -1.28995e+00 -2.13680e-06] (Cartesian), [-4.61351270e-07 -4.99997134e-01 -4.23042799e-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=5.2417956809169395,0.49218148566291253,0.9619787824365008,99.4046297599906,0.7689851131807459,0.11172129537406872,0.15602868247162816,0.14445975948068757,0.48751699848889185,0.8330535237927552,0.07272348957013719,0.653695880147404,0.6624108440595489,0.49902573330412436 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.12922767e-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=5.2417956809169395,0.49218148566291253,0.9619787824365008,99.4046297599906,0.7689851131807459,0.11172129537406872,0.15602868247162816,0.14445975948068757,0.48751699848889185,0.8330535237927552,0.07272348957013719,0.653695880147404,0.6624108440595489,0.49902573330412436 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 0.00456253104411899 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.9934,0.51359795,1.0409741,80.6152,0.11121718,0.23032011,0.14584749,0.84341966,0.83285536,0.51276282,0.6530616,0.92761037,0.49871159,0.33797931 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.52332e-06 -2.56460e+00 -6.74271e-06] (Cartesian), [-1.67847330e-06 -9.99998463e-01 -1.34402270e-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=5.197979336078749,0.49338478984356576,0.9606391434610709,99.38479312129107,0.23031843113014783,0.8887814804416396,0.8434179782553026,0.8541511643160375,0.5127611435417518,0.16714329185304488,0.927608689154972,0.3469370602815349,0.3379776308798539,0.501287061419986 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.32582323e-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=5.197979336078749,0.49338478984356576,0.9606391434610709,99.38479312129107,0.23031843113014783,0.8887814804416396,0.8434179782553026,0.8541511643160375,0.5127611435417518,0.16714329185304488,0.927608689154972,0.3469370602815349,0.3379776308798539,0.501287061419986 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 0.004571253495492394 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.9442,0.51537155,1.0424133,80.644,0.11067537,0.22970043,0.14719717,0.84289415,0.83264519,0.51301658,0.65244955,0.92797276,0.4983992,0.3383741 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.48342e-06 -1.27406e+00 -3.30534e-07] (Cartesian), [-8.79061887e-07 -5.00008118e-01 -5.26951343e-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=5.153887760940149,0.49439932463561487,0.9593145118789785,99.35598381760093,0.7702986867059154,0.11067531810636777,0.15710497483054908,0.14719711758401566,0.4869825366893925,0.8326451333515363,0.07202635684173964,0.6524494948619881,0.6616250231884369,0.49839914553634324 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -6.27633042e-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=5.153887760940149,0.49439932463561487,0.9593145118789785,99.35598381760093,0.7702986867059154,0.11067531810636777,0.15710497483054908,0.14719711758401566,0.4869825366893925,0.8326451333515363,0.07202635684173964,0.6524494948619881,0.6616250231884369,0.49839914553634324 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 0.004580005300649707 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.8937,0.51729775,1.0439136,80.6646,0.11011331,0.22907305,0.14855827,0.84231861,0.83242863,0.51332088,0.65187561,0.92837848,0.498065,0.33878374 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.10788e+00 -1.24491e-05 -8.51912e-02] (Cartesian), [-9.99995492e-01 -4.91777400e-06 -1.55549854e-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=5.108614643451041,0.4955257696037275,0.9579258695237212,99.33543248061311,0.22907755697054366,0.8898851322857606,0.8423231175365233,0.8514401728038026,0.5133253888093128,0.1675698144218225,0.9283829882373795,0.3481228329593815,0.338788250289193,0.5019334412372707 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 1.86131022e-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=5.108614643451041,0.4955257696037275,0.9579258695237212,99.33543248061311,0.22907755697054366,0.8898851322857606,0.8423231175365233,0.8514401728038026,0.5133253888093128,0.1675698144218225,0.9283829882373795,0.3481228329593815,0.338788250289193,0.5019334412372707 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 0.00458878985728018 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.8419,0.51936223,1.0454987,80.6764,0.10953193,0.22844117,0.14992186,0.8416984,0.83220444,0.51367578,0.6513409,0.92883198,0.49771427,0.3392065 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.06146 -2.51469 -0.0855651] (Cartesian), [-9.99989440e-01 -9.99986860e-01 1.76610884e-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=5.06223651788699,0.49676127034412054,0.9564712721054704,99.32358266785961,0.2284517272416453,0.8904682493643161,0.8417089565530635,0.8500783142551951,0.513686341551189,0.16779573654057112,0.9288425420952153,0.3486592796277508,0.33921705870407837,0.5022859068279222 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.83139283e-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=5.06223651788699,0.49676127034412054,0.9564712721054704,99.32358266785961,0.2284517272416453,0.8904682493643161,0.8417089565530635,0.8500783142551951,0.513686341551189,0.16779573654057112,0.9288425420952153,0.3486592796277508,0.33921705870407837,0.5022859068279222 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 0.004592392714139797 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.7889,0.52158116,1.0471925,80.6793,0.10893109,0.22781197,0.15128121,0.84104223,0.83196881,0.5140784,0.65084547,0.9293354,0.49735578,0.3396383 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.856118 -2.49779 -4.71174 ] (Cartesian), [ 5.63635099e-07 -9.99978464e-01 -9.99990456e-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=5.01489782377776,0.4980846829567783,0.9549409979368068,99.32069976996411,0.2278125325651803,0.8910784494190285,0.8410427935558089,0.848728334426303,0.5140789616144055,0.16804073823967824,0.9293359662055674,0.34916407676442907,0.3396388663792771,0.5026537677683756 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.45474301e-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=5.01489782377776,0.4980846829567783,0.9549409979368068,99.32069976996411,0.2278125325651803,0.8910784494190285,0.8410427935558089,0.848728334426303,0.5140789616144055,0.16804073823967824,0.9293359662055674,0.34916407676442907,0.3396388663792771,0.5026537677683756 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 0.004593507685295974 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.7347,0.52398251,1.0489999,80.6712,0.10830437,0.2271831,0.15263977,0.8403486,0.83172073,0.51454223,0.65039131,0.9298911,0.4969905,0.34008228 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.48088e-06 -2.48090e+00 -5.15332e-06] (Cartesian), [-2.09144274e-06 -9.99992793e-01 -1.06808000e-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=4.966673173282953,0.4995130124988752,0.9532912695631484,99.32876431498433,0.22718100824290022,0.8916945581820539,0.8403465060834889,0.8473591609572813,0.5145401370264091,0.16827819852320247,0.9298890066779897,0.3496076205569325,0.34008018387886985,0.503008430150292 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.66481571e-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=4.966673173282953,0.4995130124988752,0.9532912695631484,99.32876431498433,0.22718100824290022,0.8916945581820539,0.8403465060834889,0.8473591609572813,0.5145401370264091,0.16827819852320247,0.9298890066779897,0.3496076205569325,0.34008018387886985,0.503008430150292 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 0.004594277541788304 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.6791,0.526597,1.0509927,80.6508,0.10764643,0.2265567,0.15399811,0.83962128,0.8314572,0.51507653,0.64997975,0.93050047,0.49662599,0.34053707 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.91698e+00 -3.53080e-06 -8.41489e-02] (Cartesian), [-9.99999428e-01 -1.43296275e-06 -1.57440722e-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=4.917704015637943,0.5010439610998543,0.9514760256156317,99.34922707826908,0.22655726892925654,0.8923519991662789,0.8396218546331817,0.8460003116076047,0.515077099329843,0.1685412229127834,0.9305010437670416,0.3500186781059764,0.3405376452904303,0.5033724316321135 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.25481732e-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=4.917704015637943,0.5010439610998543,0.9514760256156317,99.34922707826908,0.22655726892925654,0.8923519991662789,0.8396218546331817,0.8460003116076047,0.515077099329843,0.1685412229127834,0.9305010437670416,0.3500186781059764,0.3405376452904303,0.5033724316321135 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 0.004594721807370128 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.6229,0.52925653,1.0530619,80.6179,0.1069345,0.22595704,0.15532702,0.83889287,0.83115853,0.51566786,0.64960393,0.93115889,0.49628854,0.34098701 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.98638e-06 -1.22336e+00 -1.10955e-05] (Cartesian), [-1.02688176e-06 -5.00013415e-01 -2.42120113e-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=4.868190972235672,0.5025797820538687,0.9496077202013976,99.3821355014063,0.7740419337638538,0.10693207615190925,0.1611060993744331,0.15532460113536084,0.4843311095775935,0.8311561075622445,0.06884007905668521,0.6496015109070741,0.6590119663704956,0.4962861174968407 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 2.8030013e-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=4.868190972235672,0.5025797820538687,0.9496077202013976,99.3821355014063,0.7740419337638538,0.10693207615190925,0.1611060993744331,0.15532460113536084,0.4843311095775935,0.8311561075622445,0.06884007905668521,0.6496015109070741,0.6590119663704956,0.4962861174968407 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 0.004594683619332221 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.5638,0.53245103,1.055743,80.5661,0.10618792,0.2253354,0.15670449,0.83810334,0.8308587,0.51639469,0.64928302,0.93187457,0.4959454,0.34146213 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.99419 -2.42999 -4.56959] (Cartesian), [-0.99999705 -0.99997734 -0.9999929 ] (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=4.818206183573453,0.5043464277608245,0.9472046113716869,99.43389001585285,0.22533835176220007,0.8938191764148065,0.8381062938344943,0.8433026098029721,0.5163976355511937,0.16914840136121967,0.9318775245984432,0.35072407642053305,0.34146508141687226,0.5040616962729438 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.42050769e-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=4.818206183573453,0.5043464277608245,0.9472046113716869,99.43389001585285,0.22533835176220007,0.8938191764148065,0.8381062938344943,0.8433026098029721,0.5163976355511937,0.16914840136121967,0.9318775245984432,0.35072407642053305,0.34146508141687226,0.5040616962729438 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 0.004594146057846686 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.5027,0.53607835,1.0589202,80.4924,0.10536992,0.22471563,0.1580953,0.83728761,0.83053673,0.51726042,0.64901581,0.93265095,0.49563118,0.34195252 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.95109e+00 -1.56258e-06 -4.50606e+00] (Cartesian), [-9.99993964e-01 -6.47354402e-07 -9.99996924e-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=4.768025139600761,0.5062460170688012,0.9443559736676795,99.50762334139678,0.2247216660448348,0.8946331508507543,0.837293648068254,0.841907775984388,0.5172664585093463,0.16946634819621864,0.9326569903403872,0.350987261280719,0.3419585558819376,0.5043718973548854 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.31762652e-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=4.768025139600761,0.5062460170688012,0.9443559736676795,99.50762334139678,0.2247216660448348,0.8946331508507543,0.837293648068254,0.841907775984388,0.5172664585093463,0.16946634819621864,0.9326569903403872,0.350987261280719,0.3419585558819376,0.5043718973548854 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 0.004593027775390898 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.439,0.54023429,1.0628295,80.3902,0.10445114,0.22409553,0.1595091,0.83644789,0.8301888,0.51831412,0.64880687,0.93349179,0.49536379,0.34245873 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.809965 -2.39809 -4.36447 ] (Cartesian), [-1.54844531e-08 -9.99976732e-01 -9.99991249e-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=4.717891636871891,0.5083087921780755,0.9408927259572323,99.60981469461294,0.2240955173246555,0.8955576134982697,0.8364478745995605,0.8404996462348575,0.5183141012151513,0.1698199518879837,0.9334917786871042,0.3512018842877995,0.3424587099349281,0.504644960966977 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 4.22834198e-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=4.717891636871891,0.5083087921780755,0.9408927259572323,99.60981469461294,0.2240955173246555,0.8955576134982697,0.8364478745995605,0.8404996462348575,0.5183141012151513,0.1698199518879837,0.9334917786871042,0.3512018842877995,0.3424587099349281,0.504644960966977 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 0.0045911360250094424 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.3711,0.54540047,1.0679463,80.2444,0.10338755,0.22344724,0.16098663,0.83555729,0.82982491,0.51967442,0.64867634,0.93441693,0.49515958,0.34300169 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.86276e+00 -9.05245e-06 -4.36595e+00] (Cartesian), [-9.99988410e-01 -3.79722631e-06 -9.99987449e-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=4.66814084693831,0.5106880582198562,0.9363761182596964,99.75560447307984,0.22345883188649207,0.8966250045032602,0.8355688805163135,0.8390259230896975,0.5196860051675296,0.17018764079079096,0.9344285202401434,0.3513362068969683,0.3430132765787175,0.5048529710728662 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.03877048e-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=4.66814084693831,0.5106880582198562,0.9363761182596964,99.75560447307984,0.22345883188649207,0.8966250045032602,0.8355688805163135,0.8390259230896975,0.5196860051675296,0.17018764079079096,0.9344285202401434,0.3513362068969683,0.3430132765787175,0.5048529710728662 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 0.004588098410564923 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.2955,0.55248516,1.0753812,80.0202,0.10208926,0.2227049,0.16260669,0.8345448,0.82946883,0.52160504,0.64867198,0.93548757,0.49504953,0.34363634 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.62042e-06 -2.37320e+00 -2.22454e-06] (Cartesian), [-4.41185650e-07 -9.99995895e-01 -5.20592626e-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=4.61929498764904,0.5137601620045295,0.9299025240436896,99.9797972154578,0.22270446363455765,0.8979102220900645,0.8345443605247878,0.8373927928246117,0.5216046020180705,0.1705306476246864,0.9354871283391599,0.35132749711120637,0.3436358987951189,0.5049499523662275 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 9.16064762e-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=4.61929498764904,0.5137601620045295,0.9299025240436896,99.9797972154578,0.22270446363455765,0.8979102220900645,0.8345443605247878,0.8373927928246117,0.5216046020180705,0.1705306476246864,0.9354871283391599,0.35132749711120637,0.3436358987951189,0.5049499523662275 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 0.0045826027810922446 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.1924,0.56714531,1.0905925,79.5321,0.10036861,0.2214072,0.16476768,0.83280593,0.82931926,0.52544595,0.64910625,0.93728243,0.49500728,0.34476876 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.805209 -1.18884 -4.11434 ] (Cartesian), [-1.92697890e-06 -4.99986856e-01 -9.99996204e-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=4.572160034804477,0.520047961708632,0.9169429810479734,100.46786514797682,0.7785908725786739,0.10037240907071876,0.1671921434078958,0.16477147455856667,0.4745521267992565,0.82932305456151,0.06271564151155018,0.6491100488276462,0.6552293123835164,0.49501107878852535 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000e+00 0.00000e+00 1.15123e-17] [ 0.00000e+00 1.00000e+00 0.00000e+00] [ 0.00000e+00 0.00000e+00 -1.00000e+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=4.572160034804477,0.520047961708632,0.9169429810479734,100.46786514797682,0.7785908725786739,0.10037240907071876,0.1671921434078958,0.16477147455856667,0.4745521267992565,0.82932305456151,0.06271564151155018,0.6491100488276462,0.6552293123835164,0.49501107878852535 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 0.004895541197858374 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.1791,0.92390928,1.4977824,107.536,0.29413629,0.21256726,0.044492463,0.81765041,0.46467952,0.60362393,0.66318063,0.0047462254,0.88293148,0.3936152 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.37886e-06 -4.26057e-06 -2.25060e-06] (Cartesian), [-2.11507196e-06 -1.45056337e-06 -8.77555505e-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=4.863881431495511,0.6038763467305673,0.6536179943359949,111.01732336792433,0.21256514219650335,0.9184300903804754,0.8176482962997718,0.7731570711258895,0.6036218127157329,0.13894353505389367,0.004744110298914528,0.3415647162936697,0.3936130836154794,0.5106828419056475 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 4.92447394e-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=4.863881431495511,0.6038763467305673,0.6536179943359949,111.01732336792433,0.21256514219650335,0.9184300903804754,0.8176482962997718,0.7731570711258895,0.6036218127157329,0.13894353505389367,0.004744110298914528,0.3415647162936697,0.3936130836154794,0.5106828419056475 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 0.004893195619131279 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.1372,0.92595308,1.5011156,107.4321,0.29458979,0.21275044,0.045741387,0.81734464,0.46525391,0.60398025,0.66476667,0.0051812305,0.88341351,0.39423738 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.11420e-05 -1.45245e+00 -3.23548e-06] (Cartesian), [-2.57946789e-06 -4.99997043e-01 -1.24620405e-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=4.813262619336322,0.6035235159585266,0.651785470386184,111.01925145907875,0.7872469849464134,0.08183810536926384,0.1826527807246423,0.22839550082513238,0.39601716700921386,0.8612724063740076,0.9948161900282626,0.6595841966372107,0.6057600436933184,0.48917489001409065 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -4.7955744e-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=4.813262619336322,0.6035235159585266,0.651785470386184,111.01925145907875,0.7872469849464134,0.08183810536926384,0.1826527807246423,0.22839550082513238,0.39601716700921386,0.8612724063740076,0.9948161900282626,0.6595841966372107,0.6057600436933184,0.48917489001409065 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 0.004890386363377277 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.095,0.92804523,1.5045557,107.3204,0.29514,0.21294993,0.047065645,0.81706376,0.46587868,0.60433856,0.66641091,0.00560755,0.88397252,0.39488005 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.75606e+00 -9.63195e-06 -2.75243e+00] (Cartesian), [-9.99993863e-01 -3.35343775e-06 -9.99991641e-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=4.7625414656681295,0.6030942679966194,0.6498690597514069,111.02504129567238,0.21295606690229363,0.9178182840126796,0.8170698978224165,0.770006475009918,0.604344697711336,0.13846823932080277,0.005613687436646808,0.3392050011568992,0.39488619168817807,0.5109158976465469 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.46341773e-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=4.7625414656681295,0.6030942679966194,0.6498690597514069,111.02504129567238,0.21295606690229363,0.9178182840126796,0.8170698978224165,0.770006475009918,0.604344697711336,0.13846823932080277,0.005613687436646808,0.3392050011568992,0.39488619168817807,0.5109158976465469 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 0.004887096768582199 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.0525,0.93012285,1.5081736,107.2004,0.29578771,0.21316455,0.048475504,0.81680621,0.46655998,0.60469895,0.66812425,0.0060260687,0.88461143,0.39554532 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.991379 -2.83919 -2.88702 ] (Cartesian), [-2.35890907e-06 -9.99979626e-01 -9.99984703e-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=4.711762344496759,0.6025872354964387,0.6478561524586438,111.03415837431027,0.21316219210449106,0.9173921412065269,0.8168038477245672,0.7683459999905073,0.6046965948552612,0.13815427507557798,0.006023709807366773,0.3379171184389007,0.3955429584116912,0.5109491882360591 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.21771299e-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=4.711762344496759,0.6025872354964387,0.6478561524586438,111.03415837431027,0.21316219210449106,0.9173921412065269,0.8168038477245672,0.7683459999905073,0.6046965948552612,0.13815427507557798,0.006023709807366773,0.3379171184389007,0.3955429584116912,0.5109491882360591 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 0.004883314419914895 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.0098,0.93225463,1.5118945,107.0717,0.29653187,0.21339436,0.049977094,0.81657238,0.46729971,0.6050626,0.66991287,0.0064388273,0.88533109,0.39623633 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.67833 -2.8059 -2.67898] (Cartesian), [-0.99999556 -0.99999873 -1.00000054] (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=4.66095500429174,0.602001854205098,0.6457418003614972,111.04676870494747,0.21339879747878387,0.9168619414629426,0.8165768189143519,0.7665947425794837,0.6050670408653072,0.13776234766990036,0.006443266226042521,0.33652541370520717,0.39624077122694157,0.5109046994396489 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.07720848e-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=4.66095500429174,0.602001854205098,0.6457418003614972,111.04676870494747,0.21339879747878387,0.9168619414629426,0.8165768189143519,0.7665947425794837,0.6050670408653072,0.13776234766990036,0.006443266226042521,0.33652541370520717,0.39624077122694157,0.5109046994396489 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 0.004879038115816427 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.9668,0.93440744,1.5158083,106.934,0.29736751,0.21364108,0.051567201,0.81636546,0.46809215,0.60543141,0.67177396,0.0068492809,0.88612727,0.39695719 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.45908e-05 -2.77219e+00 -1.05664e-05] (Cartesian), [-4.00730029e-06 -9.99979843e-01 -4.00028008e-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=4.610117114576064,0.6013395778849173,0.643535876373075,111.06393753684311,0.2136370716311684,0.9162695690632661,0.8163614493381881,0.7647942557297753,0.6054273994249728,0.13733525503296518,0.006845273569494381,0.3350713242734642,0.39695318061317697,0.5108259197722926 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.65877578e-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=4.610117114576064,0.6013395778849173,0.643535876373075,111.06393753684311,0.2136370716311684,0.9162695690632661,0.8163614493381881,0.7647942557297753,0.6054273994249728,0.13733525503296518,0.006845273569494381,0.3350713242734642,0.39695318061317697,0.5108259197722926 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 0.00487427723754999 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.9237,0.9365872,1.5197182,106.7869,0.29828263,0.21390861,0.053231135,0.81619173,0.4689222,0.60580896,0.6736937,0.0072632428,0.88698775,0.39771376 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.60013e+00 -3.58011e-06 -2.60403e+00] (Cartesian), [-9.99990655e-01 -1.30742750e-06 -9.99995672e-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=4.559210345793545,0.6006052514646929,0.6412649822270391,111.08788101624478,0.21391795936160252,0.9156303130149097,0.8162010747735804,0.7629649230335867,0.6058182999325092,0.13689108113471748,0.007272587415716458,0.3335738666233117,0.39772310181543613,0.5107303338378708 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.93643845e-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=4.559210345793545,0.6006052514646929,0.6412649822270391,111.08788101624478,0.21391795936160252,0.9156303130149097,0.8162010747735804,0.7629649230335867,0.6058182999325092,0.13689108113471748,0.007272587415716458,0.3335738666233117,0.39772310181543613,0.5107303338378708 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 0.004869045768386126 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.8806,0.93869333,1.5236062,106.6299,0.29925716,0.21420316,0.054944063,0.81606037,0.46976611,0.60620143,0.67564826,0.007689153,0.88789151,0.39851436 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.57677e-05 -2.70399e+00 -9.12520e-06] (Cartesian), [-4.25381859e-06 -9.99984112e-01 -3.59606970e-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=4.508164834020355,0.5998079176780934,0.6389704105536634,111.12201939605532,0.21419890515154671,0.914942407008601,0.8160561115754881,0.7611127066955166,0.6061971801674697,0.13643173274687248,0.007684899203513007,0.3320373008208093,0.39851010144656906,0.510619247796134 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.60647636e-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=4.508164834020355,0.5998079176780934,0.6389704105536634,111.12201939605532,0.21419890515154671,0.914942407008601,0.8160561115754881,0.7611127066955166,0.6061971801674697,0.13643173274687248,0.007684899203513007,0.3320373008208093,0.39851010144656906,0.510619247796134 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 0.004863352681460217 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.8377,0.94072664,1.5272228,106.4623,0.30026403,0.21453249,0.056674602,0.81598219,0.47059451,0.60661752,0.67760748,0.0081374484,0.8888101,0.39936949 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.89787e-05 -2.66950e+00 -8.03749e-06] (Cartesian), [-4.94853479e-06 -9.99999903e-01 -3.28072934e-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=4.456895104732574,0.5989596334166432,0.6367015705393411,111.17063051323757,0.21452754134442698,0.9142651821295407,0.8159772398212988,0.7593043052439363,0.6066125707744554,0.1360197260261926,0.008132499837146812,0.3305266908793363,0.3993645461940645,0.5105561173111512 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.37494051e-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=4.456895104732574,0.5989596334166432,0.6367015705393411,111.17063051323757,0.21452754134442698,0.9142651821295407,0.8159772398212988,0.7593043052439363,0.6066125707744554,0.1360197260261926,0.008132499837146812,0.3305266908793363,0.3993645461940645,0.5105561173111512 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 0.0048571940859362195 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.7952,0.94258014,1.5303735,106.283,0.30127314,0.21490447,0.058392374,0.81596771,0.47137924,0.60706741,0.67954215,0.0086192016,0.88971262,0.40029103 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.47962 -2.6347 -2.48815] (Cartesian), [-0.9999936 -0.99999817 -0.99999589] (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=4.405328649766747,0.5980722480391457,0.6345040808795075,111.23810824752535,0.2149108719000108,0.9136354431054248,0.815974113309186,0.7575794556352411,0.6070738099390547,0.13569228330823435,0.00862560015152214,0.32908116305163393,0.4002974268824975,0.5105825218626188 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 5.44581387e-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=4.405328649766747,0.5980722480391457,0.6345040808795075,111.23810824752535,0.2149108719000108,0.9136354431054248,0.815974113309186,0.7575794556352411,0.6070738099390547,0.13569228330823435,0.00862560015152214,0.32908116305163393,0.4002974268824975,0.5105825218626188 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 0.004850539609139044 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.7531,0.94428099,1.5330355,106.0905,0.30225829,0.21532492,0.060076025,0.81602461,0.47209987,0.60756093,0.68143286,0.0091436795,0.89057239,0.40129004 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.43792 -1.29986 -2.44829] (Cartesian), [-0.99999585 -0.50000959 -0.9999893 ] (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=4.353428472498074,0.5971546646079233,0.6324090394662677,111.32812617318328,0.7846792311126878,0.08694406567576118,0.18397954774760916,0.24406211681304057,0.39244322756629146,0.8645496459053437,0.9908604735222046,0.672299873634504,0.5987141132544038,0.4892930507328961 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.86894176e-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=4.353428472498074,0.5971546646079233,0.6324090394662677,111.32812617318328,0.7846792311126878,0.08694406567576118,0.18397954774760916,0.24406211681304057,0.39244322756629146,0.8645496459053437,0.9908604735222046,0.672299873634504,0.5987141132544038,0.4892930507328961 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 0.004843336595578262 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.7116,0.94571471,1.5350347,105.8837,0.30320156,0.21579668,0.061716028,0.81615654,0.47274569,0.60810564,0.68327262,0.0097163663,0.89137092,0.40237458 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.26221e-07 -1.28219e+00 -7.78616e-07] (Cartesian), [-2.82927916e-07 -4.99991696e-01 -3.21018860e-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=4.301197879929601,0.5962112560508569,0.6304297536383103,111.44307426260579,0.7842030382204466,0.0874045593330357,0.1838431763908972,0.24555916673422873,0.39189408191428154,0.8646397303442099,0.9902833507521489,0.673555931999565,0.5976251360136373,0.48899602285573174 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.0000000e+00 0.0000000e+00 4.5569283e-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=4.301197879929601,0.5962112560508569,0.6304297536383103,111.44307426260579,0.7842030382204466,0.0874045593330357,0.1838431763908972,0.24555916673422873,0.39189408191428154,0.8646397303442099,0.9902833507521489,0.673555931999565,0.5976251360136373,0.48899602285573174 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 0.004835519608815755 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=2.6706,0.94697821,1.5363963,105.6611,0.30409397,0.21631944,0.063315438,0.81636343,0.4733169,0.6087062,0.68506595,0.010338266,0.89209927,0.40354922 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.25096e-06 -1.26450e+00 -5.12190e-06] (Cartesian), [-9.70958360e-07 -5.00002414e-01 -2.09323023e-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=4.248683315062251,0.5952403614207534,0.6285612970816896,111.58401014843847,0.7836795896467028,0.08777243934986778,0.18363559758506187,0.24694991343811257,0.39129282530637366,0.8646085989518495,0.9896607633773433,0.6747255901364584,0.5964498128612556,0.48854796446767423 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.49288445e-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=4.248683315062251,0.5952403614207534,0.6285612970816896,111.58401014843847,0.7836795896467028,0.08777243934986778,0.18363559758506187,0.24694991343811257,0.39129282530637366,0.8646085989518495,0.9896607633773433,0.6747255901364584,0.5964498128612556,0.48854796446767423 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 0.0042860715966780046 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.899,0.46243431,1.1205967,78.0049,0.1284499,0.27584717,0.10312468,0.82283626,0.83109059,0.50988673,0.68576861,0.92809446,0.51046091,0.32059579 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.22597e+00 -1.87359e-06 -5.77019e+00] (Cartesian), [-1.48639755e-06 -6.86826918e-07 -9.99996073e-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=6.610371817703242,0.4126685420380561,0.8923879613991171,101.99513365662766,0.27584568051337444,0.8715540271287487,0.8228347700792156,0.8968792484942694,0.5098852387165147,0.1689133409780854,0.92809297728015,0.314235313126247,0.32059430437719616,0.48954302203209044 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -7.65791284e-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=6.610371817703242,0.4126685420380561,0.8923879613991171,101.99513365662766,0.27584568051337444,0.8715540271287487,0.8228347700792156,0.8968792484942694,0.5098852387165147,0.1689133409780854,0.92809297728015,0.314235313126247,0.32059430437719616,0.48954302203209044 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 0.004283472343952915 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8982,0.46283612,1.1225289,77.9743,0.12871838,0.27618151,0.10282585,0.82248249,0.83108645,0.50992934,0.68568037,0.92790693,0.51061589,0.32047425 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.22841 -1.36494 -5.76885] (Cartesian), [ 3.67978388e-07 -4.99988012e-01 -9.99993245e-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=6.620878118014988,0.41232377394692193,0.8908527252179951,102.02567979929454,0.723818860371332,0.128725132120729,0.17751788017650605,0.10283260822525486,0.4900710284817582,0.8310932006021039,0.0720934425369344,0.6856871229510997,0.679526118519747,0.5106226476912932 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -7.22472424e-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=6.620878118014988,0.41232377394692193,0.8908527252179951,102.02567979929454,0.723818860371332,0.128725132120729,0.17751788017650605,0.10283260822525486,0.4900710284817582,0.8310932006021039,0.0720934425369344,0.6856871229510997,0.679526118519747,0.5106226476912932 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 0.004280889822416369 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8973,0.46327981,1.1244807,77.9451,0.12898751,0.27651277,0.10253126,0.82212366,0.83108332,0.50997389,0.68558367,0.92771111,0.51076426,0.32035294 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.23075 -1.36606 -5.76742] (Cartesian), [-4.26786226e-07 -5.00011737e-01 -9.99989170e-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=6.631363921985965,0.4119900373617664,0.8893105221916329,102.05485216319069,0.723486807363243,0.12899833812523953,0.17787591710709894,0.10254208959951328,0.49002568441519223,0.8310941470652171,0.072288467601209,0.6855945039615192,0.6796466287473337,0.5107750904162787 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.0000000e+00 0.0000000e+00 6.1698508e-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=6.631363921985965,0.4119900373617664,0.8893105221916329,102.05485216319069,0.723486807363243,0.12899833812523953,0.17787591710709894,0.10254208959951328,0.49002568441519223,0.8310941470652171,0.072288467601209,0.6855945039615192,0.6796466287473337,0.5107750904162787 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 0.004278322082280066 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8964,0.46370667,1.1264161,77.9172,0.1292574,0.27684123,0.10224078,0.8217593,0.83108108,0.51002056,0.6854785,0.92750704,0.51090611,0.32023186 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.64178e+00 -2.73419e+00 1.39279e-03] (Cartesian), [-9.99990266e-01 -9.99988154e-01 -1.93298547e-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=6.641844820524904,0.4116661054903033,0.8877594217169816,102.08275758322588,0.27685096705560897,0.8707425840066696,0.8217690320096394,0.8977591997359511,0.5100302965354806,0.16891889934907822,0.9275167711607231,0.31452147991289525,0.32024159782974904,0.48909387151983874 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.21808113e-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=6.641844820524904,0.4116661054903033,0.8877594217169816,102.08275758322588,0.27685096705560897,0.8707425840066696,0.8217690320096394,0.8977591997359511,0.5100302965354806,0.16891889934907822,0.9275167711607231,0.31452147991289525,0.32024159782974904,0.48909387151983874 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 0.004275767247791998 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8953,0.46416637,1.1284074,77.8905,0.12952829,0.27716726,0.101954,0.82138897,0.83107963,0.51006941,0.68536468,0.92729461,0.51104176,0.32011101 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.65229e+00 -2.73639e+00 1.69315e-03] (Cartesian), [-9.99992960e-01 -9.99980442e-01 3.14496168e-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=6.652336656130173,0.41135072711578463,0.8861975791572808,102.10949476783196,0.27717429949098205,0.870472020051257,0.8213960115387811,0.8980463191811787,0.510076446478005,0.1689206865064814,0.9273016485131038,0.31463563263184047,0.3201180495218243,0.4889585537850405 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.84829933e-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=6.652336656130173,0.41135072711578463,0.8861975791572808,102.10949476783196,0.27717429949098205,0.870472020051257,0.8213960115387811,0.8980463191811787,0.510076446478005,0.1689206865064814,0.9273016485131038,0.31463563263184047,0.3201180495218243,0.4889585537850405 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 0.004273223412901497 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8941,0.46465109,1.1304355,77.8648,0.12980047,0.27749117,0.10167047,0.82101217,0.83107886,0.51012049,0.68524207,0.92707371,0.51117155,0.31999041 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.23739 -1.36935 -5.76274] (Cartesian), [-4.22655996e-07 -4.99996739e-01 -9.99995777e-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=6.662855283268382,0.411042675552485,0.8846231875384117,102.13516370821803,0.7225084089897744,0.12980469371800574,0.17898740689394144,0.10167469311152288,0.4898790912590032,0.8310830825102904,0.0729258628336209,0.6852462914492969,0.6800091675565327,0.5111757740592231 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.25260978e-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=6.662855283268382,0.411042675552485,0.8846231875384117,102.13516370821803,0.7225084089897744,0.12980469371800574,0.17898740689394144,0.10167469311152288,0.4898790912590032,0.8310830825102904,0.0729258628336209,0.6852462914492969,0.6800091675565327,0.5111757740592231 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 0.004270689319969267 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8929,0.46513601,1.1324475,77.8401,0.13007414,0.2778133,0.10138949,0.82062831,0.83107864,0.51017379,0.68511017,0.92684399,0.51129594,0.31987001 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.67339e+00 -1.37049e+00 2.05781e-03] (Cartesian), [-9.99996045e-01 -4.99988512e-01 -1.12589142e-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=6.673418106435312,0.41074048311455436,0.8830345309186075,102.15988275507158,0.7221906546000614,0.1300730126939853,0.17937563983156535,0.10138835937756685,0.4898301668339602,0.8310775092181131,0.07315996453077478,0.685109048617488,0.6801339410143048,0.5112948153485872 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.58204911e-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=6.673418106435312,0.41074048311455436,0.8830345309186075,102.15988275507158,0.7221906546000614,0.1300730126939853,0.17937563983156535,0.10138835937756685,0.4898301668339602,0.8310775092181131,0.07315996453077478,0.685109048617488,0.6801339410143048,0.5112948153485872 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 0.004268162173826439 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8915,0.46565391,1.1345158,77.8162,0.13034966,0.278134,0.10111067,0.8202368,0.83107888,0.51022942,0.68496895,0.92660542,0.51141532,0.31974998 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.44245 -1.3717 -5.75704] (Cartesian), [-0.99999146 -0.49999675 -0.99999609] (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=6.684041697608267,0.4104429535690356,0.8814297063993206,102.18375291897397,0.7218745382863858,0.13035357811020765,0.1797717310542497,0.10111458078989388,0.489779117125724,0.8310827976331194,0.07340311637850228,0.684972866154725,0.6802585594764818,0.5114192293485678 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -4.00120177e-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=6.684041697608267,0.4104429535690356,0.8814297063993206,102.18375291897397,0.7218745382863858,0.13035357811020765,0.1797717310542497,0.10111458078989388,0.489779117125724,0.8310827976331194,0.07340311637850228,0.684972866154725,0.6802585594764818,0.5114192293485678 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 0.004265641183185912 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8901,0.46617205,1.1366021,77.7931,0.13062727,0.27845354,0.10083325,0.81983694,0.83107947,0.51028736,0.68481784,0.92635758,0.51153014,0.31963026 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.69468e+00 -1.37289e+00 2.17190e-03] (Cartesian), [-9.99990438e-01 -4.99989078e-01 4.50997793e-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=6.694743802533477,0.41014862710696404,0.8798070359833419,102.20689178170954,0.7215560184933287,0.1306277165857006,0.18017262482977414,0.10083370474828834,0.48972219670641803,0.831079923793042,0.07365198139741569,0.6848182881967202,0.6803793052403448,0.5115305954262479 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.24451023e-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=6.694743802533477,0.41014862710696404,0.8798070359833419,102.20689178170954,0.7215560184933287,0.1306277165857006,0.18017262482977414,0.10083370474828834,0.48972219670641803,0.831079923793042,0.07365198139741569,0.6848182881967202,0.6803793052403448,0.5115305954262479 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 0.004263124734279666 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8886,0.46671535,1.1387257,77.7706,0.13090724,0.27877223,0.10055663,0.81942799,0.8310803,0.51034768,0.68465642,0.92610019,0.51164085,0.31951094 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.70548e+00 -1.37415e+00 2.13095e-03] (Cartesian), [-9.99990851e-01 -4.99998572e-01 -3.49936316e-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=6.705542126292828,0.4098561749238789,0.8781646920178063,102.22940624392918,0.721236921854985,0.13090689139836087,0.18058116248073786,0.10055627542280443,0.48966147417091044,0.8310799472383197,0.0739089606613188,0.6846560741398662,0.6804982120237311,0.5116405044166292 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.71868253e-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=6.705542126292828,0.4098561749238789,0.8781646920178063,102.22940624392918,0.721236921854985,0.13090689139836087,0.18058116248073786,0.10055627542280443,0.48966147417091044,0.8310799472383197,0.0739089606613188,0.6846560741398662,0.6804982120237311,0.5116405044166292 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 0.004260611556050389 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.887,0.46726686,1.1409037,77.7486,0.13118989,0.27909032,0.10028013,0.81900917,0.83108125,0.51041039,0.68448425,0.9258329,0.51174786,0.31939211 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.63223e-05 -1.37540e+00 -1.01535e-05] (Cartesian), [-2.75816495e-06 -4.99996396e-01 -1.76579669e-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=6.716454859077497,0.4095642546939789,0.876500817881789,102.2514059711331,0.7209069237085282,0.13118812109596734,0.18098807213406798,0.10027836027654957,0.4895868484584247,0.8310794832279085,0.074164338650615,0.6844824876882116,0.680605131606224,0.5117460986832738 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.17242938e-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=6.716454859077497,0.4095642546939789,0.876500817881789,102.2514059711331,0.7209069237085282,0.13118812109596734,0.18098807213406798,0.10027836027654957,0.4895868484584247,0.8310794832279085,0.074164338650615,0.6844824876882116,0.680605131606224,0.5117460986832738 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 0.004258100584786863 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8853,0.46784361,1.1431023,77.727,0.1314756,0.27940808,0.10000298,0.81857968,0.83108221,0.51047549,0.68430077,0.92555527,0.5118518,0.31927389 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.47809e+00 -6.64854e-06 -5.74924e+00] (Cartesian), [-9.99999755e-01 -2.41468883e-06 -9.99997375e-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=6.727501050701826,0.4092713450397695,0.8748136589202445,102.27300763619755,0.27940832147206063,0.8685270300732824,0.8185799266071783,0.8999996438908444,0.510475733412076,0.16892041548935555,0.9255555119045396,0.31570185141813156,0.3192741315127119,0.48815082323049275 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.82233025e-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=6.727501050701826,0.4092713450397695,0.8748136589202445,102.27300763619755,0.27940832147206063,0.8685270300732824,0.8185799266071783,0.8999996438908444,0.510475733412076,0.16892041548935555,0.9255555119045396,0.31570185141813156,0.3192741315127119,0.48815082323049275 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 0.004255334673429229 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8841,0.46831291,1.1453068,77.725,0.1316451,0.27977763,0.099792403,0.81812584,0.83107764,0.51051915,0.68421836,0.92518984,0.51191473,0.31915751 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.48863 -1.37781 -5.74907] (Cartesian), [-0.99999556 -0.50000734 -0.99999367] (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=6.739121292782459,0.40889300728596706,0.8731297863609249,102.2750367380066,0.7202268067684168,0.1316514383903309,0.18187859588488076,0.09979873688955188,0.48948528187506923,0.8310839747130121,0.07481460064432066,0.6842246978415762,0.680846923515896,0.5119210596401653 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -4.1631644e-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=6.739121292782459,0.40889300728596706,0.8731297863609249,102.2750367380066,0.7202268067684168,0.1316514383903309,0.18187859588488076,0.09979873688955188,0.48948528187506923,0.8310839747130121,0.07481460064432066,0.6842246978415762,0.680846923515896,0.5119210596401653 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 0.004252423627286501 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8832,0.4687245,1.1475388,77.7341,0.13175205,0.28017695,0.099617596,0.81765283,0.83107057,0.51055133,0.68418587,0.92476832,0.51195183,0.31904591 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.60191e-05 -1.37880e+00 -1.49601e-05] (Cartesian), [-2.85490523e-06 -4.99996536e-01 -2.60171119e-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=6.751153966031524,0.4084663329644418,0.8714310337960163,102.26589942155985,0.7198201913666429,0.13174944732343508,0.18234431175420696,0.09961499398487628,0.48944581064676806,0.8310679681859408,0.07522882213866566,0.6841832686572964,0.6809512363830854,0.5119492316692997 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.02928856e-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=6.751153966031524,0.4084663329644418,0.8714310337960163,102.26589942155985,0.7198201913666429,0.13174944732343508,0.18234431175420696,0.09961499398487628,0.48944581064676806,0.8310679681859408,0.07522882213866566,0.6841832686572964,0.6809512363830854,0.5119492316692997 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 0.00424945750701716 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8833,0.46905648,1.1495419,77.7411,0.13189293,0.28056299,0.099394524,0.81718808,0.83108271,0.51056211,0.68414513,0.9243454,0.51192684,0.31895905 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.79218e-05 -1.37979e+00 -8.35909e-07] (Cartesian), [-2.67660908e-06 -4.99988001e-01 -1.43992697e-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=6.763053471938458,0.4080473766092846,0.8699181626985717,102.25890901874217,0.7194343347210208,0.13189278527967563,0.18280924274995458,0.09939437968545173,0.48943521023793046,0.831082570158109,0.0756519225833876,0.684144990473418,0.6810382693480421,0.5119266983107136 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.52670579e-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=6.763053471938458,0.4080473766092846,0.8699181626985717,102.25890901874217,0.7194343347210208,0.13189278527967563,0.18280924274995458,0.09939437968545173,0.48943521023793046,0.831082570158109,0.0756519225833876,0.684144990473418,0.6810382693480421,0.5119266983107136 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 0.004246290372404524 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.888,0.46900476,1.1504586,77.7365,0.13216421,0.28089074,0.09898012,0.81679281,0.83116909,0.51048637,0.68410351,0.92396192,0.511675,0.31895287 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.25351 -1.38075 -5.75301] (Cartesian), [-6.47830042e-07 -4.99998138e-01 -9.99992664e-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=6.773874036219906,0.40767074628165956,0.8692268021276736,102.26350700102311,0.7191086140370309,0.132171548683381,0.18320654631319688,0.09898745669835796,0.4895129834171441,0.8311764230825989,0.07603743422574705,0.6841108489304686,0.6810464788828865,0.5116823367363268 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.20901502e-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=6.773874036219906,0.40767074628165956,0.8692268021276736,102.26350700102311,0.7191086140370309,0.132171548683381,0.18320654631319688,0.09898745669835796,0.4895129834171441,0.8311764230825989,0.07603743422574705,0.6841108489304686,0.6810464788828865,0.5116823367363268 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 0.004243070683424984 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8929,0.4689372,1.1513856,77.7318,0.13244085,0.28122317,0.098550188,0.81638328,0.8312589,0.51040975,0.68405096,0.92355682,0.51140903,0.3189548 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.11433e-06 -2.76340e+00 -4.64590e-06] (Cartesian), [-1.05031997e-06 -9.99993166e-01 -8.06237502e-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=6.78498487873375,0.4072844574449796,0.8685194946928618,102.26823054326758,0.2812221219739146,0.8675583435572647,0.8163822281722857,0.9014490058314584,0.51040869658015,0.16874029457453243,0.9235557700704426,0.3159482293467675,0.3189537533687159,0.48859015876256207 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.97142169e-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=6.78498487873375,0.4072844574449796,0.8685194946928618,102.26823054326758,0.2812221219739146,0.8675583435572647,0.8163822281722857,0.9014490058314584,0.51040869658015,0.16874029457453243,0.9235557700704426,0.3159482293467675,0.3189537533687159,0.48859015876256207 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 0.004239793556175987 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8979,0.46887875,1.1523424,77.7269,0.13272313,0.28156108,0.098102788,0.81595774,0.83135229,0.51033197,0.68398644,0.92312777,0.51112835,0.31896588 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.79639e+00 -1.38271e+00 -4.02642e-03] (Cartesian), [-9.99995012e-01 -5.00008780e-01 -2.13562815e-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=6.796425364168958,0.4068861631346944,0.8677934615086392,102.27313700868277,0.7184439104416069,0.1327229213939054,0.18404725274250544,0.09810257483493912,0.4896730186226961,0.8313520738975941,0.07687721952554316,0.6839862294572434,0.6810391064715158,0.5111281381530222 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.17472313e-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=6.796425364168958,0.4068861631346944,0.8677934615086392,102.27313700868277,0.7184439104416069,0.1327229213939054,0.18404725274250544,0.09810257483493912,0.4896730186226961,0.8313520738975941,0.07687721952554316,0.6839862294572434,0.6810391064715158,0.5111281381530222 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 0.0042364535188875105 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9031,0.46880453,1.1533262,77.7217,0.13301159,0.28190519,0.09763571,0.81551406,0.83144941,0.51025288,0.68390869,0.92267223,0.51083231,0.31898725 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.80818e+00 -1.38371e+00 -4.37135e-03] (Cartesian), [-9.99991670e-01 -5.00009370e-01 -1.49604666e-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=6.808239997261543,0.4064733531720072,0.8670454632387236,102.27832963635954,0.7181031386676735,0.13301009491540672,0.18449427358113324,0.09763421400906469,0.48975544957742945,0.8314479137007487,0.07733610331290386,0.6839071944874053,0.6810210777829386,0.510830817077434 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.18751373e-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=6.808239997261543,0.4064733531720072,0.8670454632387236,102.27832963635954,0.7181031386676735,0.13301009491540672,0.18449427358113324,0.09763421400906469,0.48975544957742945,0.8314479137007487,0.07733610331290386,0.6839071944874053,0.6810210777829386,0.510830817077434 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 0.004233045494360594 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9084,0.4687225,1.1543734,77.7161,0.13330677,0.28225616,0.097146558,0.81504982,0.83155043,0.51017233,0.68381659,0.9221878,0.5105202,0.31901991 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.03769e-06 -2.76940e+00 -5.38186e-06] (Cartesian), [-1.49724058e-06 -9.99996909e-01 -9.31148455e-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=6.820476904816387,0.40604324295366695,0.8662724610765682,102.28393986261025,0.28225465780302894,0.8666923026838873,0.8150483186126407,0.9028525104963732,0.5101708348798786,0.16844863893935091,0.9221863037572497,0.3161824761667389,0.3190184133065457,0.4894788662562264 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.84451644e-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=6.820476904816387,0.40604324295366695,0.8662724610765682,102.28393986261025,0.28225465780302894,0.8666923026838873,0.8150483186126407,0.9028525104963732,0.5101708348798786,0.16844863893935091,0.9221863037572497,0.3161824761667389,0.3190184133065457,0.4894788662562264 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 0.004229564099828868 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9139,0.46864167,1.1554473,77.7099,0.13360933,0.28261459,0.096632647,0.81456219,0.83165552,0.51009019,0.68370899,0.92167189,0.51019125,0.31906486 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.26309 -1.38575 -5.77743] (Cartesian), [-6.09604798e-07 -5.00001448e-01 -9.99993425e-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=6.833190551528127,0.40559266646949693,0.8654712064072649,102.29012586920403,0.717384801156105,0.13361590359864906,0.18543720211985293,0.09663922145208304,0.4899092013663351,0.8316620974944064,0.07832749922285198,0.683715563826484,0.6809345282847628,0.5101978223372068 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -6.5576054e-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=6.833190551528127,0.40559266646949693,0.8654712064072649,102.29012586920403,0.717384801156105,0.13361590359864906,0.18543720211985293,0.09663922145208304,0.4899092013663351,0.8316620974944064,0.07832749922285198,0.683715563826484,0.6809345282847628,0.5101978223372068 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 0.0042260037151964835 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9197,0.46853726,1.1565451,77.7029,0.13392003,0.28298112,0.096090993,0.81404783,0.83176489,0.51000633,0.6835847,0.9211216,0.50984444,0.31912313 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.58109 -1.3868 -5.78823] (Cartesian), [-0.99999122 -0.49999678 -0.9999995 ] (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=6.846443686800933,0.40511804088249365,0.8646380834711364,102.29707834804707,0.7170276612817055,0.13392053368140355,0.18596095266086876,0.09609149229557623,0.49000245727499037,0.8317653933696199,0.07888718770100223,0.6835851991304998,0.6808856540032546,0.5098449377723675 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -5.5885258e-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=6.846443686800933,0.40511804088249365,0.8646380834711364,102.29707834804707,0.7170276612817055,0.13392053368140355,0.18596095266086876,0.09609149229557623,0.49000245727499037,0.8317653933696199,0.07888718770100223,0.6835851991304998,0.6808856540032546,0.5098449377723675 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 0.0042223576765053035 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9257,0.46843411,1.1577198,77.695,0.13423969,0.28335641,0.09551829,0.81350284,0.83187875,0.50992065,0.68344252,0.92053371,0.50947871,0.31919578 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.59268 -1.3879 -5.79415] (Cartesian), [-0.99999743 -0.50000271 -0.99999442] (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=6.860308077514812,0.40461520364115444,0.8637690633726767,102.30499820190883,0.7166461562765658,0.1342452706971331,0.18649972874092624,0.09552386640399746,0.49008191784385624,0.8318843299915648,0.079468854803314,0.6834480946721109,0.6808067910214775,0.5094842881542694 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.56108196e-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=6.860308077514812,0.40461520364115444,0.8637690633726767,102.30499820190883,0.7166461562765658,0.1342452706971331,0.18649972874092624,0.09552386640399746,0.49008191784385624,0.8318843299915648,0.079468854803314,0.6834480946721109,0.6808067910214775,0.5094842881542694 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 0.004218620444224681 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.932,0.46830748,1.1589514,77.6859,0.13456902,0.28374091,0.094911643,0.81292236,0.83199734,0.5098333,0.68328168,0.91990506,0.50909258,0.31928371 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.27008 -1.389 -5.79442] (Cartesian), [-2.24174155e-07 -5.00001248e-01 -9.99989967e-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=6.874866127876644,0.40407958683081047,0.8628592020438263,102.31410413936808,0.7162588638349094,0.1345790549403394,0.1870774140860474,0.09492167653058603,0.4901664796704046,0.8320073745266319,0.08009471418690817,0.6832917132229541,0.6807160699445567,0.5091026165386294 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 4.7479575e-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=6.874866127876644,0.40407958683081047,0.8628592020438263,102.31410413936808,0.7162588638349094,0.1345790549403394,0.1870774140860474,0.09492167653058603,0.4901664796704046,0.8320073745266319,0.08009471418690817,0.6832917132229541,0.6807160699445567,0.5091026165386294 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 0.004214784636413359 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9387,0.4681496,1.1602203,77.6754,0.1349087,0.28413513,0.094267398,0.81230051,0.83212083,0.50974436,0.68310154,0.91923186,0.50868412,0.31938789 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.61744 -1.39009 -5.80681] (Cartesian), [-0.99999695 -0.49998925 -0.99999886] (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=6.89021610932988,0.4035054499363666,0.8619034733452531,102.32459791291876,0.7158679188312675,0.1349098377004676,0.18770253468297815,0.09426853468610918,0.490258689520205,0.8321219638860984,0.08077118216857437,0.6831026720943176,0.6806151585105868,0.5086852541360503 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -6.85818956e-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=6.89021610932988,0.4035054499363666,0.8619034733452531,102.32459791291876,0.7158679188312675,0.1349098377004676,0.18770253468297815,0.09426853468610918,0.490258689520205,0.8321219638860984,0.08077118216857437,0.6831026720943176,0.6806151585105868,0.5086852541360503 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 0.004210840956228934 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9457,0.46798527,1.1615958,77.6634,0.13525909,0.28453954,0.093582912,0.81163054,0.83224964,0.50965428,0.68290226,0.91851013,0.50825094,0.31950924 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.2756 -1.39124 -5.80724] (Cartesian), [-6.66914672e-07 -4.99991998e-01 -9.99990121e-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=6.906465882362569,0.40288688605433426,0.8608956660851682,102.33663955526913,0.7154597911664462,0.13526896738512506,0.18836879712504073,0.09359279121835007,0.4903450570111305,0.8322595218314841,0.08148919849067737,0.6829121415118604,0.6804900924607673,0.5082608193096758 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.27934285e-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=6.906465882362569,0.40288688605433426,0.8608956660851682,102.33663955526913,0.7154597911664462,0.13526896738512506,0.18836879712504073,0.09359279121835007,0.4903450570111305,0.8322595218314841,0.08148919849067737,0.6829121415118604,0.6804900924607673,0.5082608193096758 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 0.004206780207486973 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9532,0.46778203,1.1630384,77.6495,0.13562101,0.28495459,0.092853633,0.81090384,0.83238404,0.50956343,0.68268368,0.91773514,0.50779,0.31964851 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.2787 -1.39239 -5.81423] (Cartesian), [-9.29562894e-07 -4.99988220e-01 -9.99989413e-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=6.923756081452531,0.4022160192352023,0.8598286348210916,102.35052724874066,0.7150444788499613,0.1356316006121685,0.18909522761581532,0.09286422060771704,0.49043564274272566,0.8323946283894279,0.08226393060724502,0.6826942716076467,0.6803505648102322,0.5078005897243365 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.98757088e-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=6.923756081452531,0.4022160192352023,0.8598286348210916,102.35052724874066,0.7150444788499613,0.1356316006121685,0.18909522761581532,0.09286422060771704,0.49043564274272566,0.8323946283894279,0.08226393060724502,0.6826942716076467,0.6803505648102322,0.5078005897243365 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 0.004202588042740368 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9613,0.46754902,1.1645446,77.6335,0.13599498,0.2853809,0.092075505,0.81011032,0.8325245,0.50947258,0.68244644,0.91690121,0.50729741,0.31980641 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.94218e+00 -1.39360e+00 -6.44959e-03] (Cartesian), [-9.99990564e-01 -4.99999551e-01 -3.06721837e-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=6.942248896284313,0.4014840930481006,0.8586936692030925,102.36650031490004,0.7146285395354237,0.13599466864241672,0.18989911417812388,0.09207519813733267,0.4905368566995163,0.8325241917963235,0.0831082296223169,0.6824461328039007,0.6802030293674586,0.5072971048882409 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -2.1243204e-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=6.942248896284313,0.4014840930481006,0.8586936692030925,102.36650031490004,0.7146285395354237,0.13599466864241672,0.18989911417812388,0.09207519813733267,0.4905368566995163,0.8325241917963235,0.0831082296223169,0.6824461328039007,0.6802030293674586,0.5072971048882409 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 0.004198230309032949 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9699,0.46727751,1.1662004,77.6155,0.13638603,0.28581752,0.091242228,0.8092369,0.83267064,0.50938582,0.68219063,0.91600153,0.50676706,0.31998355 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.96208e+00 -2.78959e+00 -6.45750e-03] (Cartesian), [-9.99992465e-01 -9.99985367e-01 1.97861082e-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=6.962135201213016,0.40068610281301364,0.8574771411763461,102.38446491297448,0.28582505004211667,0.8636141691950354,0.809244435737186,0.9087579694448704,0.5093933585931134,0.16732956000145105,0.9160090629520141,0.31780956384119574,0.3199910831327841,0.49323313559018733 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.84301439e-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=6.962135201213016,0.40068610281301364,0.8574771411763461,102.38446491297448,0.28582505004211667,0.8636141691950354,0.809244435737186,0.9087579694448704,0.5093933585931134,0.16732956000145105,0.9160090629520141,0.31780956384119574,0.3199910831327841,0.49323313559018733 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 0.004193613172077646 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9791,0.46701009,1.1680019,77.5968,0.13681246,0.28625827,0.090342425,0.80826531,0.8328195,0.50931771,0.68191367,0.91502871,0.50618733,0.32017988 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.98359e+00 -1.39616e+00 -6.52786e-03] (Cartesian), [-9.99996380e-01 -5.00008278e-01 -6.09851384e-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=6.9836191121146065,0.3998319106460077,0.8561551209314131,102.40316122948393,0.7137453528763071,0.13681185190811984,0.19173830555090543,0.09034181482355907,0.4906859130419068,0.8328188887475549,0.08497490564294585,0.6819130644314271,0.6798237394217077,0.5061867157977793 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.94870374e-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=6.9836191121146065,0.3998319106460077,0.8561551209314131,102.40316122948393,0.7137453528763071,0.13681185190811984,0.19173830555090543,0.09034181482355907,0.4906859130419068,0.8328188887475549,0.08497490564294585,0.6819130644314271,0.6798237394217077,0.5061867157977793 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 0.004188515565308849 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9887,0.4667958,1.1700202,77.5811,0.13732191,0.28668567,0.089351126,0.80716648,0.83296161,0.50930474,0.68160569,0.91397516,0.50553747,0.32039418 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.71321 -1.39775 -5.8542 ] (Cartesian), [-0.99999547 -0.50000171 -0.99999683] (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=7.006928322677566,0.3989609039369958,0.8546842976415548,102.4189446151828,0.7133188619978108,0.13732508496822327,0.1928380511785035,0.08935430054923055,0.4906997842400216,0.8329647803855988,0.08602936500432512,0.6816088681329369,0.6796103441709467,0.5055406423641782 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.98905892e-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=7.006928322677566,0.3989609039369958,0.8546842976415548,102.4189446151828,0.7133188619978108,0.13732508496822327,0.1928380511785035,0.08935430054923055,0.4906997842400216,0.8329647803855988,0.08602936500432512,0.6816088681329369,0.6796103441709467,0.5055406423641782 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 0.0041735808827449055 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.981,0.4716101,1.1780304,77.72,0.14135781,0.28655034,0.086916296,0.80465549,0.83245093,0.51084311,0.68038475,0.91176248,0.50425831,0.32113946 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.44231e-05 -1.41035e+00 -1.78278e-05] (Cartesian), [-2.60395689e-06 -5.00002462e-01 -3.04327607e-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=7.045755947761561,0.40033832155253984,0.8488738992363563,102.27999937629252,0.7134470519068865,0.14135476494499333,0.19534190640882576,0.08691325259912919,0.4891542820159267,0.8324478827418815,0.08823491561412355,0.6803817028945831,0.6788579342846144,0.504255261975803 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.10423492e-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=7.045755947761561,0.40033832155253984,0.8488738992363563,102.27999937629252,0.7134470519068865,0.14135476494499333,0.19534190640882576,0.08691325259912919,0.4891542820159267,0.8324478827418815,0.08823491561412355,0.6803817028945831,0.6788579342846144,0.504255261975803 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 0.004153251845152981 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0041,0.47444246,1.17568,77.666,0.14182127,0.28535816,0.085486476,0.80278312,0.83136029,0.5144602,0.68026929,0.9090554,0.50573441,0.32120312 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.21161e-06 -2.84860e+00 -4.76621e-06] (Cartesian), [-3.20717546e-07 -9.99994898e-01 -8.12115320e-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=7.058892583337804,0.4035497778312574,0.8505704099692164,102.33395613878876,0.28535784213949533,0.8581779222273713,0.8027827968254277,0.9145127115737566,0.5144598838313301,0.16863889664761356,0.9090550815045355,0.3197298999042606,0.32120279984838795,0.49426477497875076 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.28893059e-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=7.058892583337804,0.4035497778312574,0.8505704099692164,102.33395613878876,0.28535784213949533,0.8581779222273713,0.8027827968254277,0.9145127115737566,0.5144598838313301,0.16863889664761356,0.9090550815045355,0.3197298999042606,0.32120279984838795,0.49426477497875076 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 0.004160148395381145 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.07,0.47181219,1.1811367,77.1014,0.13570577,0.28570567,0.085905336,0.794765,0.83290229,0.51522013,0.681425,0.89620177,0.50919706,0.32457851 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.82724 -1.43194 -5.90429] (Cartesian), [-0.99999551 -0.49999102 -0.99999776] (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=7.16952213296885,0.39945917824172017,0.8466412194443677,102.89862078467993,0.7142988282644003,0.1357080094776162,0.20523949290028876,0.0859075715165376,0.48478436314366347,0.8329045246770295,0.10380272521669287,0.681427236983486,0.6754259804262441,0.5091992910832814 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.57847075e-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=7.16952213296885,0.39945917824172017,0.8466412194443677,102.89862078467993,0.7142988282644003,0.1357080094776162,0.20523949290028876,0.0859075715165376,0.48478436314366347,0.8329045246770295,0.10380272521669287,0.681427236983486,0.6754259804262441,0.5091992910832814 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 0.004150966608843352 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1167,0.46997564,1.1731162,77.1161,0.13097411,0.28621846,0.087690629,0.79410379,0.83420134,0.51594471,0.68578967,0.88994238,0.51087938,0.32753007 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.82841 -2.87469 -5.94638] (Cartesian), [-0.9999919 -0.99997965 -0.99999864] (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=7.175649018957909,0.40062557133446464,0.852425642762112,102.88393131052693,0.28622656163089144,0.8690272493828828,0.7941118946211674,0.9123107269732107,0.5159528134230005,0.1658000158685835,0.8899504860425587,0.3142116901549401,0.3275381705535594,0.48912197434388327 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.41622948e-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=7.175649018957909,0.40062557133446464,0.852425642762112,102.88393131052693,0.28622656163089144,0.8690272493828828,0.7941118946211674,0.9123107269732107,0.5159528134230005,0.1658000158685835,0.8899504860425587,0.3142116901549401,0.3275381705535594,0.48912197434388327 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 0.0038141332142564636 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.1201,0.39729779,1.0564037,73.061,0.097877048,0.27254838,0.090044652,0.77723413,0.85141592,0.53446881,0.72764134,0.87862851,0.57164054,0.35394476 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.29678e-05 -1.41439e+00 -6.58794e-06] (Cartesian), [-1.96871290e-06 -4.99990274e-01 -1.06967052e-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=7.521660295493483,0.37609183584978856,0.9466100208305555,106.9389559175762,0.7274496471838707,0.09787597809468096,0.2227638965441252,0.09004358280695324,0.4655292257215844,0.8514148481291683,0.12136951697890908,0.7276402672370321,0.646053274880295,0.571639472289514 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.42629163e-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=7.521660295493483,0.37609183584978856,0.9466100208305555,106.9389559175762,0.7274496471838707,0.09787597809468096,0.2227638965441252,0.09004358280695324,0.4655292257215844,0.8514148481291683,0.12136951697890908,0.7276402672370321,0.646053274880295,0.571639472289514 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 0.0038169707575879766 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.1278,0.39705098,1.0565111,73.0199,0.097855414,0.27278922,0.089813354,0.77744078,0.85180854,0.53448267,0.72764736,0.87907829,0.57102133,0.3541516 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.81508e+00 -2.17821e-06 -6.50758e+00] (Cartesian), [-9.99991647e-01 -7.69660692e-07 -9.99991342e-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=7.530645473725207,0.37580991859121887,0.9465117220525542,106.98008226427933,0.27279757528601345,0.902153244259404,0.7774491316270717,0.9101953042089439,0.5344910272158323,0.1482001203566936,0.8790866457205389,0.2723613032449199,0.3541599547837837,0.4289873314163155 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.62430315e-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=7.530645473725207,0.37580991859121887,0.9465117220525542,106.98008226427933,0.27279757528601345,0.902153244259404,0.7774491316270717,0.9101953042089439,0.5344910272158323,0.1482001203566936,0.8790866457205389,0.2723613032449199,0.3541599547837837,0.4289873314163155 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 0.003820104034294805 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.136,0.39676289,1.0565723,72.9803,0.097825149,0.27303259,0.089574532,0.77765144,0.85220848,0.53451337,0.72764484,0.87955752,0.57037048,0.35436579 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.52818 -1.41566 0.416511] (Cartesian), [-9.99998235e-01 -5.00010770e-01 -1.21856881e-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=7.539709182975199,0.3755130266501025,0.946450887478125,107.01974033831428,0.7269691759997046,0.09782393091574537,0.22235032005447364,0.08957331363845844,0.46548839420253074,0.8522072586484954,0.12044424079692173,0.7276436245462257,0.6456359767292712,0.5703692614267908 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.87456745e-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=7.539709182975199,0.3755130266501025,0.946450887478125,107.01974033831428,0.7269691759997046,0.09782393091574537,0.22235032005447364,0.08957331363845844,0.46548839420253074,0.8522072586484954,0.12044424079692173,0.7276436245462257,0.6456359767292712,0.5703692614267908 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 0.0038235477986285787 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.1445,0.39643082,1.056603,72.9421,0.097785302,0.27327985,0.089325131,0.77786705,0.8526169,0.53456078,0.72763251,0.88006471,0.5696853,0.35458912 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.09166e-06 -1.41614e+00 -1.13947e-05] (Cartesian), [-5.25409715e-07 -4.99988975e-01 -1.67459306e-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=7.548891588461314,0.37519977857836745,0.9464255027997825,107.05787231811675,0.7267196201628829,0.09778362746269309,0.22213242198600747,0.08932345669683128,0.4654386994845483,0.8526152293737503,0.11993476291814753,0.7276308305869321,0.6454103529111039,0.569683621264323 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.21180573e-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=7.548891588461314,0.37519977857836745,0.9464255027997825,107.05787231811675,0.7267196201628829,0.09778362746269309,0.22213242198600747,0.08932345669683128,0.4654386994845483,0.8526152293737503,0.11993476291814753,0.7276308305869321,0.6454103529111039,0.569683621264323 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 0.0038273236806138063 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.1534,0.39607739,1.0565885,72.9056,0.097734574,0.27353212,0.089062527,0.77808843,0.85303505,0.53462522,0.72760932,0.8805996,0.5689627,0.35482324 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.54637 -1.41664 0.422437] (Cartesian), [-9.99994747e-01 -4.99988585e-01 9.56515611e-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=7.55822402125539,0.37486910637197485,0.9464348413976608,107.09438882073884,0.7264731349042517,0.0977346691661567,0.22191682653985367,0.0890626231105236,0.465380032995943,0.8530351504794846,0.11940565192281438,0.7276094120125478,0.645182017508221,0.5689627942706177 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.88977928e-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=7.55822402125539,0.37486910637197485,0.9464348413976608,107.09438882073884,0.7264731349042517,0.0977346691661567,0.22191682653985367,0.0890626231105236,0.465380032995943,0.8530351504794846,0.11940565192281438,0.7276094120125478,0.645182017508221,0.5689627942706177 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 0.0038314586372416547 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.1627,0.39570274,1.0565429,72.8708,0.097671395,0.2737904,0.088784337,0.77831639,0.85346431,0.53470728,0.72757438,0.88116266,0.56819937,0.35506969 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.83415 -1.41716 -6.52741] (Cartesian), [-0.99999375 -0.500009 -0.99999949] (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=7.567734123640612,0.37452015786494697,0.9464787170058652,107.1291826822528,0.7262158494257851,0.09767190431204575,0.22168985442185063,0.08878484608869597,0.4652989689928264,0.8534648239566729,0.11884358592942257,0.7275748915678175,0.6449365582187112,0.5681998758156439 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.02889954e-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=7.567734123640612,0.37452015786494697,0.9464787170058652,107.1291826822528,0.7262158494257851,0.09767190431204575,0.22168985442185063,0.08878484608869597,0.4652989689928264,0.8534648239566729,0.11884358592942257,0.7275748915678175,0.6449365582187112,0.5681998758156439 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 0.0038359847769621463 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.1725,0.39527361,1.0564517,72.8379,0.097593833,0.27405568,0.088488311,0.77855181,0.85390623,0.53480765,0.72752689,0.88175479,0.56739177,0.35533 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.56528 -1.41755 0.428135] (Cartesian), [-9.99991549e-01 -4.99996515e-01 5.29814594e-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=7.577447759901525,0.37415233352240507,0.9465569650235052,107.1621319637937,0.7259527720888173,0.09759436265978438,0.22145664041513302,0.0884888404733446,0.4652008000499892,0.853906760477877,0.11825366555774286,0.7275274158605285,0.6446784465204538,0.5673922976759611 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.41403106e-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=7.577447759901525,0.37415233352240507,0.9465569650235052,107.1621319637937,0.7259527720888173,0.09759436265978438,0.22145664041513302,0.0884888404733446,0.4652008000499892,0.853906760477877,0.11825366555774286,0.7275274158605285,0.6446784465204538,0.5673922976759611 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 0.0038410650136211843 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.1829,0.39514681,1.0557853,72.8145,0.097666654,0.27425632,0.087964074,0.77871383,0.85436932,0.53513243,0.72745516,0.88249523,0.56670255,0.3555725 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.84228 -1.41915 -6.5409 ] (Cartesian), [-1.00000048 -0.49999807 -0.99999643] (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=7.583601497224708,0.37426952933429974,0.9471654807534085,107.18553700827904,0.7257432005439601,0.09767022363866396,0.22128568557100192,0.08796764418347491,0.46486709368110746,0.8543728896357385,0.11750429060553591,0.7274587310745606,0.6444270148810616,0.5667061224127083 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.000000e+00 0.000000e+00 8.265796e-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=7.583601497224708,0.37426952933429974,0.9471654807534085,107.18553700827904,0.7257432005439601,0.09767022363866396,0.22128568557100192,0.08796764418347491,0.46486709368110746,0.8543728896357385,0.11750429060553591,0.7274587310745606,0.6444270148810616,0.5667061224127083 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 0.0038479255660482966 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.1948,0.39623061,1.0529132,72.8273,0.098306977,0.27421787,0.08660575,0.77858371,0.85492471,0.53632284,0.72730379,0.88373467,0.56655053,0.35570922 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.57257e-05 -1.42540e+00 -1.12526e-05] (Cartesian), [-2.48257419e-06 -5.00001368e-01 -1.76495975e-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=7.575452522005778,0.3763197238873617,0.9497475809294535,107.1726772253317,0.725779648886776,0.09830521176209905,0.22141380667687272,0.08660398536152658,0.46367467488144865,0.8549229459456134,0.11626284421254507,0.7273020229900189,0.6442882954121258,0.5665487607805171 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.79399966e-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=7.575452522005778,0.3763197238873617,0.9497475809294535,107.1726772253317,0.725779648886776,0.09830521176209905,0.22141380667687272,0.08660398536152658,0.46367467488144865,0.8549229459456134,0.11626284421254507,0.7273020229900189,0.6442882954121258,0.5665487607805171 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 0.003857754661365048 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.2081,0.39769149,1.0492224,72.8671,0.098991609,0.27417063,0.084900351,0.77839831,0.85564094,0.5379503,0.72705945,0.88521489,0.56640261,0.35584543 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.82527 -2.8666 -6.56518] (Cartesian), [-0.99999481 -0.99999724 -0.9999955 ] (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=7.56292908598638,0.37903408558570595,0.9530858871860407,107.13291927563955,0.2741758194175039,0.9010128948829992,0.7784034953231034,0.9151041527152217,0.5379554854664019,0.14436356251285343,0.8852200723896986,0.27294505443797457,0.35585061458236233,0.4336018892908817 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.68325877e-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=7.56292908598638,0.37903408558570595,0.9530858871860407,107.13291927563955,0.2741758194175039,0.9010128948829992,0.7784034953231034,0.9151041527152217,0.5379554854664019,0.14436356251285343,0.8852200723896986,0.27294505443797457,0.35585061458236233,0.4336018892908817 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 0.0038744242722464723 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.2246,0.39999446,1.043864,72.9696,0.09972906,0.27410914,0.082415447,0.77811704,0.8567155,0.54053027,0.72661306,0.88722948,0.56622568,0.35599782 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.52913 -1.44489 0.431384] (Cartesian), [-9.99990265e-01 -4.99988856e-01 1.25437562e-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=7.541548779240015,0.383189779117344,0.9579720555739245,107.03040385865683,0.7259005910175569,0.09973031403926846,0.2218926923238984,0.08241670143563318,0.45947946832094066,0.8567167538195564,0.11278025032724903,0.7266143099858282,0.6440119148746533,0.5662269299189671 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 7.32506492e-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=7.541548779240015,0.383189779117344,0.9579720555739245,107.03040385865683,0.7259005910175569,0.09973031403926846,0.2218926923238984,0.08241670143563318,0.45947946832094066,0.8567167538195564,0.11278025032724903,0.7266143099858282,0.6440119148746533,0.5662269299189671 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 0.0038633193047499462 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.2495,0.40358645,1.0357128,73.2082,0.1000913,0.27412648,0.078470188,0.77782256,0.85849253,0.54475614,0.72569349,0.89034726,0.56534982,0.35629181 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.70013 -1.46291 -7.04732] (Cartesian), [-8.59198409e-07 -5.00010705e-01 -9.99996985e-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=7.508365384731123,0.3896663537783119,0.9655254121562317,106.79179339657856,0.7258726600183416,0.10009431383749279,0.22217658226908577,0.0784732030303541,0.4552429986211408,0.8584955452682745,0.10965188328305997,0.7256965034090528,0.6437073281695747,0.5653528404904709 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.79383047e-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=7.508365384731123,0.3896663537783119,0.9655254121562317,106.79179339657856,0.7258726600183416,0.10009431383749279,0.22217658226908577,0.0784732030303541,0.4552429986211408,0.8584955452682745,0.10965188328305997,0.7256965034090528,0.6437073281695747,0.5653528404904709 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 0.0038137356230568 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.2925,0.40673294,1.026013,73.6197,0.098472663,0.27452873,0.073313751,0.77806778,0.86088704,0.54984371,0.72404473,0.89475564,0.56145258,0.35718532 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.47081e-05 -1.48305e+00 -5.33836e-06] (Cartesian), [-2.16494021e-06 -5.00002487e-01 -8.75718494e-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=7.4821587745083615,0.39642105136466776,0.9746501244377566,106.38029600199461,0.7254691038481216,0.09847178696231151,0.2219300532479791,0.0733128754393726,0.4501541212322091,0.8608861670458237,0.10524219892197095,0.7240438578179105,0.6428125151429507,0.5614517002554487 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.59761903e-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=7.4821587745083615,0.39642105136466776,0.9746501244377566,106.38029600199461,0.7254691038481216,0.09847178696231151,0.2219300532479791,0.0733128754393726,0.4501541212322091,0.8608861670458237,0.10524219892197095,0.7240438578179105,0.6428125151429507,0.5614517002554487 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 0.0034654050227108614 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4431,0.42157166,1.0523035,87.3297,0.9986047,0.32905318,0.067532822,0.80574931,0.88920471,0.56467656,0.61458481,0.94323531,0.5174554,0.29968327 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.81219 -1.56889 -0.562319] (Cartesian), [-1.00000033e+00 -4.99989495e-01 -1.14392386e-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=7.832399417458751,0.4006238391871386,0.9502921891012579,92.67026484380646,0.6709464908018177,0.9986035558004698,0.19425035980182637,0.06753167830953077,0.43532310798790674,0.8892035666121905,0.05676435643811395,0.6145836633884452,0.7003163952256148,0.5174542528017876 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.07361771e-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=7.832399417458751,0.4006238391871386,0.9502921891012579,92.67026484380646,0.6709464908018177,0.9986035558004698,0.19425035980182637,0.06753167830953077,0.43532310798790674,0.8892035666121905,0.05676435643811395,0.6145836633884452,0.7003163952256148,0.5174542528017876 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 0.003470843594344918 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4425,0.42235808,1.0534095,87.2864,0.99880359,0.32921346,0.067513815,0.80593054,0.88914821,0.56485307,0.61475623,0.943449,0.51762728,0.29999827 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.36183e-05 -1.57169e+00 -4.27230e-06] (Cartesian), [-1.79140792e-06 -4.99992899e-01 -4.42349738e-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=7.839968658771192,0.4009486232477781,0.9493015749479667,92.713626786831,0.6707847479618749,0.9988031510822695,0.19406766424932576,0.06751337243329036,0.4351451423535073,0.8891477690905583,0.05654921021485593,0.6147557919580238,0.6999999426152077,0.5176268371169912 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.30705078e-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=7.839968658771192,0.4009486232477781,0.9493015749479667,92.713626786831,0.6707847479618749,0.9988031510822695,0.19406766424932576,0.06751337243329036,0.4351451423535073,0.8891477690905583,0.05654921021485593,0.6147557919580238,0.6999999426152077,0.5176268371169912 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 0.0034765260241488177 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4419,0.42315806,1.0545425,87.2411,0.99901143,0.3293846,0.06749602,0.80611937,0.88909238,0.56503656,0.61493829,0.94367271,0.51780553,0.30033066 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.82795 -3.14909 -0.557763] (Cartesian), [-9.99999147e-01 -9.99983616e-01 -9.89416539e-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=7.847802968298072,0.4012768423958297,0.9482755110215371,92.75889929432657,0.3293854527412239,0.0009875814371493874,0.8061202249713317,0.9325029910283393,0.565037409680313,0.11090662879735635,0.9436735651993882,0.38506071596884306,0.30033151314188355,0.4821934847027509 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 2.7443488e-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=7.847802968298072,0.4012768423958297,0.9482755110215371,92.75889929432657,0.3293854527412239,0.0009875814371493874,0.8061202249713317,0.9325029910283393,0.565037409680313,0.11090662879735635,0.9436735651993882,0.38506071596884306,0.30033151314188355,0.4821934847027509 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 0.0034824748380593976 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4412,0.42399075,1.0557303,87.1935,0.99922829,0.32956759,0.06748081,0.80631633,0.88903869,0.56522809,0.61513106,0.94390663,0.51799063,0.30068654 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.94746 -3.155 -7.94321] (Cartesian), [-0.99999478 -0.99999795 -0.99999344] (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=7.855926170941086,0.4016084683378412,0.9472129882719101,92.80646159291378,0.3295728119641228,0.0007782749396176847,0.8063215582120384,0.9325257526634059,0.5652333180191496,0.11096787050428825,0.9439118507485431,0.38487549948788935,0.30069176527903774,0.4820159308764629 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.21945209e-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=7.855926170941086,0.4016084683378412,0.9472129882719101,92.80646159291378,0.3295728119641228,0.0007782749396176847,0.8063215582120384,0.9325257526634059,0.5652333180191496,0.11096787050428825,0.9439118507485431,0.38487549948788935,0.30069176527903774,0.4820159308764629 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 0.0034828044049201264 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4406,0.42483133,1.0569443,87.143,0.99945286,0.32976315,0.067472463,0.80652212,0.8889908,0.56542985,0.6153339,0.94415128,0.51818284,0.3010795 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.95266 -3.16099 -7.93956] (Cartesian), [-0.99999081 -0.99998802 -0.99999853] (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=7.864349980183652,0.40194394512224696,0.9461182520021955,92.85702330288724,0.32977233637116043,0.0005486161273720036,0.8065313117217905,0.9325290117155811,0.5654390412188732,0.11101067520358399,0.9441604738251994,0.38466757079053937,0.30108869155021245,0.48181863145834414 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 7.4522764e-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=7.864349980183652,0.40194394512224696,0.9461182520021955,92.85702330288724,0.32977233637116043,0.0005486161273720036,0.8065313117217905,0.9325290117155811,0.5654390412188732,0.11101067520358399,0.9441604738251994,0.38466757079053937,0.30108869155021245,0.48181863145834414 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 0.0034812633385961976 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4402,0.42568748,1.0581705,87.0876,0.99967741,0.32997019,0.067488574,0.80673819,0.88896217,0.56564849,0.61554131,0.94440644,0.51838029,0.30155426 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.85378 -3.1672 -0.549713] (Cartesian), [-9.99997017e-01 -9.99996884e-01 -2.30955626e-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=7.873019000352425,0.40228657771901377,0.9450188077103417,92.9124055833462,0.32997317408197,0.00032028457743171757,0.8067411728969862,0.9325091166955102,0.5656514773189822,0.11103552057579247,0.9444094270288996,0.38445637620168815,0.30155723971931203,0.48161740098211414 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 6.48911417e-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=7.873019000352425,0.40228657771901377,0.9450188077103417,92.9124055833462,0.32997317408197,0.00032028457743171757,0.8067411728969862,0.9325091166955102,0.5656514773189822,0.11103552057579247,0.9444094270288996,0.38445637620168815,0.30155723971931203,0.48161740098211414 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 0.0034794623302936405 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4401,0.42655341,1.0593809,87.0249,0.99989449,0.33018813,0.067547807,0.80696612,0.88896849,0.5658915,0.61574912,0.94467375,0.5185817,0.30216374 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.86294e+00 -1.17330e-05 -5.46264e-01] (Cartesian), [-9.99998389e-01 -3.69711792e-06 -2.14776255e-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=7.881906051048907,0.4026377722587542,0.943940632297065,92.97508660110348,0.3301897418898174,0.00010336365917762436,0.8069677294119986,0.9324500451899791,0.5658931074415707,0.11102935854390505,0.9446753634777438,0.3842487305489637,0.30216535374286946,0.481416149230947 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.56941555e-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=7.881906051048907,0.4026377722587542,0.943940632297065,92.97508660110348,0.3301897418898174,0.00010336365917762436,0.8069677294119986,0.9324500451899791,0.5658931074415707,0.11102935854390505,0.9446753634777438,0.3842487305489637,0.30216535374286946,0.481416149230947 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 0.0034774478303706904 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4399,0.42743854,1.0606729,86.9571,0.00012627522,0.33042572,0.067610545,0.80720485,0.88898277,0.56614689,0.61597524,0.94495946,0.51879504,0.30282505 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.96789 -1.59005 -7.92716] (Cartesian), [-0.99999936 -0.49999884 -0.99999257] (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=7.891301413222881,0.4029889643018998,0.9428021720705658,93.04285747252406,0.6695749218072455,0.00013370107719357094,0.19279578656122176,0.06761797040176942,0.43385375348362176,0.8889901910753122,0.05504117515507723,0.6159826674466826,0.6971755912822515,0.5188024665078581 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.68825408e-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=7.891301413222881,0.4029889643018998,0.9428021720705658,93.04285747252406,0.6695749218072455,0.00013370107719357094,0.19279578656122176,0.06761797040176942,0.43385375348362176,0.8889901910753122,0.05504117515507723,0.6159826674466826,0.6971755912822515,0.5188024665078581 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 0.0034751913031866835 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4398,0.42835829,1.0620312,86.8836,0.00037599124,0.33068627,0.06767471,0.80745546,0.88900489,0.56641549,0.6162236,0.9452665,0.51902249,0.3035418 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.04420e-06 -2.90358e-07 -7.86390e-06] (Cartesian), [-2.53237764e-07 -9.11098890e-08 -1.04653342e-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=7.901298018284831,0.40333864602149433,0.9415903955275964,93.11643478237472,0.33068602151831206,0.9996229622313679,0.8074552080841229,0.9323242437908732,0.5664152333530645,0.1109940674054104,0.9452662510434784,0.3837753562943562,0.30354155093756563,0.4809764616254908 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.06605962e-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=7.901298018284831,0.40333864602149433,0.9415903955275964,93.11643478237472,0.33068602151831206,0.9996229622313679,0.8074552080841229,0.9323242437908732,0.5664152333530645,0.1109940674054104,0.9452662510434784,0.3837753562943562,0.30354155093756563,0.4809764616254908 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 0.0034726501484927644 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4396,0.42932416,1.063498,86.803,0.0006464262,0.3309736,0.067740412,0.80771943,0.88903688,0.56669926,0.61649826,0.9455985,0.51926639,0.30432531 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.97879 -1.59701 -7.91697] (Cartesian), [-0.99999947 -0.5000096 -0.99999909] (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=7.911999601417175,0.40368539587558955,0.9402936224381457,93.19697726849726,0.6690269315767532,0.0006473409968061894,0.1922811042511845,0.06774132668317323,0.43330127650695327,0.8890377934232283,0.05440203253545528,0.6164991790347178,0.6956752238155861,0.5192673005651252 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.20772409e-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=7.911999601417175,0.40368539587558955,0.9402936224381457,93.19697726849726,0.6690269315767532,0.0006473409968061894,0.1922811042511845,0.06774132668317323,0.43330127650695327,0.8890377934232283,0.05440203253545528,0.6164991790347178,0.6956752238155861,0.5192673005651252 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 0.0034697686850886414 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4394,0.43031696,1.0650725,86.7139,0.00094074235,0.33129242,0.0678085,0.80799861,0.88908185,0.56700099,0.61680451,0.94596058,0.51952974,0.3051924 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.90582 -3.20129 -0.52884] (Cartesian), [-9.99993781e-01 -9.99989203e-01 -3.23906612e-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=7.923537382567503,0.40402719250538144,0.9388984888986356,93.28613224527905,0.3312986406958425,0.9990589337414137,0.8080048286302195,0.9321911761750479,0.5670072050514743,0.11091782132841832,0.9459667971318428,0.38319517022448135,0.3051986200560066,0.4804699332295219 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.08040872e-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=7.923537382567503,0.40402719250538144,0.9388984888986356,93.28613224527905,0.3312986406958425,0.9990589337414137,0.8080048286302195,0.9321911761750479,0.5670072050514743,0.11091782132841832,0.9459667971318428,0.38319517022448135,0.3051986200560066,0.4804699332295219 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 0.003466470722084425 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4392,0.43136359,1.0667948,86.6138,0.0012635416,0.33164925,0.067879667,0.80829538,0.889144,0.56732437,0.61714989,0.94636026,0.51981677,0.30616584 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.53668e-06 -3.20899e+00 -7.27633e-06] (Cartesian), [-5.57508767e-07 -9.99981917e-01 -9.46294880e-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=7.936091074115519,0.4043612906071958,0.9373862399880117,93.3862051494207,0.3316486960590026,0.9987355121516077,0.8082948209940368,0.9321193871915723,0.5673238076833407,0.11085505087370806,0.9463597054795052,0.3828491675392387,0.3061652819448637,0.4801822831986695 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.06674909e-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=7.936091074115519,0.4043612906071958,0.9373862399880117,93.3862051494207,0.3316486960590026,0.9987355121516077,0.8082948209940368,0.9321193871915723,0.5673238076833407,0.11085505087370806,0.9463597054795052,0.3828491675392387,0.3061652819448637,0.4801822831986695 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 0.0034626468239521797 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.439,0.43247748,1.0686786,86.4993,0.0016211927,0.33205317,0.067955175,0.80861299,0.88922964,0.56767479,0.61754548,0.94680885,0.52013354,0.30727996 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.93309e+00 -3.25697e-07 -5.16553e-01] (Cartesian), [-9.99996388e-01 -1.01236210e-07 -2.22911590e-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=7.949918372733392,0.40468323322211014,0.9357309236812813,93.50065357963771,0.33205678237300784,0.9983785844045814,0.8086166061848932,0.9320446022272466,0.5676783994899184,0.11077013438622796,0.9468124576224675,0.38245429615644877,0.3072835762803525,0.4798662406195633 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.19679066e-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=7.949918372733392,0.40468323322211014,0.9357309236812813,93.50065357963771,0.33205678237300784,0.9983785844045814,0.8086166061848932,0.9320446022272466,0.5676783994899184,0.11077013438622796,0.9468124576224675,0.38245429615644877,0.3072835762803525,0.4798662406195633 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 0.0034581301156381542 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4389,0.43365283,1.0707766,86.3648,0.0020233213,0.33251747,0.068036892,0.80895577,0.88934905,0.56806076,0.618009,0.94732585,0.52048971,0.3085907 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.94913 -1.61296 -0.508732] (Cartesian), [-9.99998104e-01 -5.00006669e-01 -1.72018892e-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=7.965408308729313,0.4049857642515014,0.9338952282601949,93.63517943320619,0.6674844307831451,0.002021601097466519,0.1910461220143329,0.06803517152842709,0.4319411391558754,0.8893473292194087,0.05267604801152559,0.6180072794931943,0.6914111957422076,0.5204879853043858 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -1.9236037e-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=7.965408308729313,0.4049857642515014,0.9338952282601949,93.63517943320619,0.6674844307831451,0.002021601097466519,0.1910461220143329,0.06803517152842709,0.4319411391558754,0.8893473292194087,0.05267604801152559,0.6180072794931943,0.6914111957422076,0.5204879853043858 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 0.0034526326151456364 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4389,0.43490301,1.0731694,86.2003,0.002485277,0.33306349,0.068129512,0.80933102,0.8895211,0.56849679,0.61857055,0.94794355,0.520901,0.31019809 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.01162 -3.23519 -7.87622] (Cartesian), [-0.9999951 -0.99998762 -0.9999982 ] (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=7.983228936954843,0.40525332118812163,0.9318171480426393,93.79968102693041,0.3330683920288271,0.9975165261638952,0.8093359220725498,0.9318722912593915,0.5685016895153481,0.11048070624866613,0.9479484494276984,0.38143125643721265,0.3102029886040838,0.4791008039404425 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.18226671e-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=7.983228936954843,0.40525332118812163,0.9318171480426393,93.79968102693041,0.3330683920288271,0.9975165261638952,0.8093359220725498,0.9318722912593915,0.5685016895153481,0.11048070624866613,0.9479484494276984,0.38143125643721265,0.3102029886040838,0.4791008039404425 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 0.0034455646493536138 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4394,0.4362583,1.0759873,85.9871,0.0030335592,0.33373072,0.068249278,0.80975513,0.88978735,0.56901047,0.61928592,0.94871355,0.5213935,0.31230672 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.98991 -1.62276 -0.486221] (Cartesian), [-9.99995808e-01 -5.00007027e-01 -9.88637768e-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=8.004724738771307,0.4054448457300288,0.9293728281522432,94.01289544705008,0.6662734726811363,0.003032570522750966,0.19024906062100833,0.06824828971921004,0.4309937174370617,0.8897863654911817,0.0512906448977648,0.6192849268982137,0.687697472241461,0.5213925082987978 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.13485837e-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=8.004724738771307,0.4054448457300288,0.9293728281522432,94.01289544705008,0.6662734726811363,0.003032570522750966,0.19024906062100833,0.06824828971921004,0.4309937174370617,0.8897863654911817,0.0512906448977648,0.6192849268982137,0.687697472241461,0.5213925082987978 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 0.0034352896914765976 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.4411,0.43771754,1.0796253,85.6705,0.0037343319,0.33461748,0.068449509,0.81026855,0.89027148,0.56968072,0.62030921,0.94978677,0.5220374,0.31552295 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.41705e-05 -1.62856e+00 -1.30924e-05] (Cartesian), [-1.97104676e-06 -5.00010680e-01 -1.65055342e-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=8.033565580471757,0.40543024063482114,0.926247405161717,94.32949591712885,0.6653805470081504,0.003732681319661424,0.18972948205824092,0.06844785800375464,0.43031730702437043,0.8902698293278051,0.05021125580492325,0.6203075600065302,0.6844750788975997,0.5220357517138265 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.68355924e-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=8.033565580471757,0.40543024063482114,0.926247405161717,94.32949591712885,0.6653805470081504,0.003732681319661424,0.18972948205824092,0.06844785800375464,0.43031730702437043,0.8902698293278051,0.05021125580492325,0.6203075600065302,0.6844750788975997,0.5220357517138265 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