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=6.350700782677935,0.4303518506259613,0.9334767714473816,101.34257554332065,0.2634004586243144,0.8827916229291293,0.8264047528955658,0.8903958831994583,0.5201794887734956,0.16733137158668976,0.9264021398623117,0.31857461539427234,0.32187190338542493,0.48756002626280526 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.001099899486333756 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=6.350700782677935,0.4303518506259613,0.9334767714473816,101.34257554332065,0.2634004586243144,0.8827916229291293,0.8264047528955658,0.8903958831994583,0.5201794887734956,0.16733137158668976,0.9264021398623117,0.31857461539427234,0.32187190338542493,0.48756002626280526 --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 0.004301745161406897 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9194,0.46151637,1.0718147,78.6827,0.11722855,0.2633248,0.10988755,0.82654555,0.83260483,0.52006679,0.68126243,0.92639165,0.51233499,0.32194487 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.1632 -1.36594 -5.80398] (Cartesian), [-1.97233530e-06 -4.99990972e-01 -9.99997996e-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=6.344468661657001,0.43060017679617674,0.9330029067466384,101.31733156321644,0.7366732313505349,0.11723055304583374,0.17345247370536132,0.10988955811500922,0.4799312402311209,0.8326068315735191,0.07360637278927129,0.6812644367047285,0.6780531532646088,0.5123369973623348 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -6.5926243e-19] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.344468661657001,0.43060017679617674,0.9330029067466384,101.31733156321644,0.7366732313505349,0.11723055304583374,0.17345247370536132,0.10988955811500922,0.4799312402311209,0.8326068315735191,0.07360637278927129,0.6812644367047285,0.6780531532646088,0.5123369973623348 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004302070767080021 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9183,0.46158525,1.0718787,78.6857,0.11723069,0.26331633,0.10992117,0.82656295,0.83259612,0.5200527,0.68124145,0.92639017,0.51232083,0.32195396 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.18081 -1.3659 -5.80485] (Cartesian), [-0.9999959 -0.50000045 -0.99999376] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.343713376542562,0.430630672684012,0.9329437074229449,101.31426879833077,0.7366877719414637,0.11723692506298944,0.17344115006588012,0.1099274103591048,0.47995140236776757,0.8326023616228588,0.0736139359019723,0.6812476865573971,0.6780501451388554,0.5123270686774588 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.95128069e-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=6.343713376542562,0.430630672684012,0.9329437074229449,101.31426879833077,0.7366877719414637,0.11723692506298944,0.17344115006588012,0.1099274103591048,0.47995140236776757,0.8326023616228588,0.0736139359019723,0.6812476865573971,0.6780501451388554,0.5123270686774588 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043024358626208336 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9171,0.46166196,1.0719609,78.6892,0.117233,0.2633063,0.10995905,0.82658221,0.83258636,0.52003739,0.68121795,0.92638867,0.51230504,0.32196422 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.1625 -1.36586 -5.80177] (Cartesian), [-6.90926596e-07 -5.00012690e-01 -9.99995576e-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=6.34286491308275,0.43066511879305663,0.9328775004117199,101.3107546151314,0.7366930119647188,0.11723742108283908,0.1734171027368674,0.10996347825725028,0.479961922407391,0.8325907830552848,0.0736106406691368,0.6812223777250921,0.6780350900213161,0.5123094630144429 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.56466966e-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=6.34286491308275,0.43066511879305663,0.9328775004117199,101.3107546151314,0.7366930119647188,0.11723742108283908,0.1734171027368674,0.10996347825725028,0.479961922407391,0.8325907830552848,0.0736106406691368,0.6812223777250921,0.6780350900213161,0.5123094630144429 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004302844668098455 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9158,0.46172961,1.0720275,78.6933,0.11723531,0.26329498,0.11000182,0.82660367,0.83257525,0.52002054,0.68119162,0.92638689,0.5122874,0.32197557 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.34189e+00 -1.36575e+00 -2.45479e-03] (Cartesian), [-9.99995573e-01 -5.00002695e-01 -1.59215182e-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=6.341920399628046,0.4307031787447878,0.9328013683387925,101.30669282185613,0.736709451685974,0.11723372269974242,0.17340075473472805,0.11000023256960789,0.47998389156430754,0.8325736560571015,0.07361754133588905,0.6811900298699993,0.6780288525427984,0.5122858046615315 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.82775229e-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=6.341920399628046,0.4307031787447878,0.9328013683387925,101.30669282185613,0.736709451685974,0.11723372269974242,0.17340075473472805,0.11000023256960789,0.47998389156430754,0.8325736560571015,0.07361754133588905,0.6811900298699993,0.6780288525427984,0.5122858046615315 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004303301770353099 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9142,0.4618207,1.0721484,78.6978,0.11723837,0.26328249,0.11004949,0.8266278,0.83256298,0.52000129,0.68116212,0.92638491,0.51226725,0.32198834 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.16159 -1.36565 -5.79899] (Cartesian), [-1.68034134e-06 -4.99999759e-01 -9.99992882e-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=6.340857952871779,0.4307463339660657,0.932717396179504,101.30220175383272,0.7367158324331529,0.1172454834527783,0.17337051918391544,0.11005660682258922,0.4799970323680758,0.8325700935952605,0.0736134136570854,0.6811692414078996,0.6780099750330488,0.5122743638888441 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.43466259e-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=6.340857952871779,0.4307463339660657,0.932717396179504,101.30220175383272,0.7367158324331529,0.1172454834527783,0.17337051918391544,0.11005660682258922,0.4799970323680758,0.8325700935952605,0.0736134136570854,0.6811692414078996,0.6780099750330488,0.5122743638888441 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004303812625898097 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9125,0.46191966,1.0722537,78.7028,0.11724183,0.26326854,0.11010259,0.82665484,0.83254936,0.51997971,0.68112908,0.92638284,0.51224444,0.32200263 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.16106 -1.36555 -5.79737] (Cartesian), [-2.32941525e-06 -5.00000733e-01 -9.99994571e-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=6.339665574016405,0.43079496316420024,0.9326243980237485,101.29723312496425,0.7367291286399977,0.11724726016635234,0.1733428263678447,0.11010802070023384,0.48001796037309474,0.8325547889274616,0.07361483219261156,0.6811345068107091,0.6779950425243033,0.5122498644600424 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.58315301e-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=6.339665574016405,0.43079496316420024,0.9326243980237485,101.29723312496425,0.7367291286399977,0.11724726016635234,0.1733428263678447,0.11010802070023384,0.48001796037309474,0.8325547889274616,0.07361483219261156,0.6811345068107091,0.6779950425243033,0.5122498644600424 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004304384132529251 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9106,0.46203431,1.0723615,78.7084,0.11724573,0.26325271,0.11016281,0.82668466,0.83253414,0.51995586,0.68109234,0.92638049,0.51221846,0.32201852 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.1778 -1.36546 -5.79902] (Cartesian), [-0.99999196 -0.50000988 -0.99999588] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.338335179802026,0.43084910493726675,0.9325191677333781,101.29162355948615,0.7367553342406534,0.11724984826025597,0.17332338031312222,0.11016693122651544,0.4800521841508645,0.8325382571060378,0.073627553869694,0.6810964651005911,0.6779895219272452,0.5122225768926256 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.0000000e+00 0.0000000e+00 1.7469892e-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=6.338335179802026,0.43084910493726675,0.9325191677333781,101.29162355948615,0.7367553342406534,0.11724984826025597,0.17332338031312222,0.11016693122651544,0.4800521841508645,0.8325382571060378,0.073627553869694,0.6810964651005911,0.6779895219272452,0.5122225768926256 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004305022265922856 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9085,0.46214775,1.0724888,78.7146,0.11724998,0.26323504,0.11022993,0.82671798,0.83251731,0.51992914,0.68105135,0.92637811,0.51218878,0.32203633 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.33678e+00 -1.36530e+00 -3.88869e-03] (Cartesian), [-9.99990311e-01 -4.99998399e-01 4.08493059e-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=6.336842546433851,0.43090998746667475,0.932403221157778,101.28544207786815,0.7367746446587478,0.11725002009988561,0.1732917110047445,0.11022997035516213,0.4800805522415592,0.8325173479959092,0.07363158185338725,0.6810513875352975,0.6779733591644663,0.51218881691635 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.13460411e-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=6.336842546433851,0.43090998746667475,0.932403221157778,101.28544207786815,0.7367746446587478,0.11725002009988561,0.1732917110047445,0.11022997035516213,0.4800805522415592,0.8325173479959092,0.07363158185338725,0.6810513875352975,0.6779733591644663,0.51218881691635 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004305734766583465 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9061,0.46228476,1.0726537,78.7215,0.11725517,0.26321509,0.11030505,0.8267551,0.83249856,0.51989948,0.68100541,0.92637553,0.51215555,0.32205604 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.15908 -2.73029 -5.79124] (Cartesian), [-1.57542521e-06 -9.99987857e-01 -9.99997045e-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=6.335172978872749,0.4309784695805285,0.9322731684856965,101.27852185526368,0.263213518316614,0.8827477839540769,0.8267535291180306,0.8896979063290478,0.519897903736503,0.16750439048496535,0.9263739515515068,0.318997548452969,0.3220544649099193,0.48784740545698013 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.13996417e-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=6.335172978872749,0.4309784695805285,0.9322731684856965,101.27852185526368,0.263213518316614,0.8827477839540769,0.8267535291180306,0.8896979063290478,0.519897903736503,0.16750439048496535,0.9263739515515068,0.318997548452969,0.3220544649099193,0.48784740545698013 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004306528936982143 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9035,0.46243754,1.0728043,78.7293,0.1172611,0.26319259,0.110389,0.82679642,0.8324778,0.51986636,0.68095428,0.9263729,0.51211753,0.32207806 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.70939e-06 -2.73000e+00 -1.62056e-05] (Cartesian), [-2.42047590e-07 -9.99998706e-01 -2.79931149e-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=6.3333006830625855,0.4310554115906156,0.9321296291816271,101.2707136103125,0.2631923444526483,0.8827360991197604,0.8267961812046725,0.8896081987840505,0.5198661209218507,0.16751940250637354,0.9263726544199673,0.3190429240153436,0.32207782272416097,0.4878796698276777 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.06840309e-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=6.3333006830625855,0.4310554115906156,0.9321296291816271,101.2707136103125,0.2631923444526483,0.8827360991197604,0.8267961812046725,0.8896081987840505,0.5198661209218507,0.16751940250637354,0.9263726544199673,0.3190429240153436,0.32207782272416097,0.4878796698276777 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043074163218445255 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9005,0.46260486,1.0729938,78.7377,0.11726741,0.26316756,0.11048328,0.8268421,0.83245485,0.51982967,0.68089738,0.92637017,0.51207427,0.32210256 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.33119e+00 -1.36479e+00 -5.45748e-03] (Cartesian), [-9.99996743e-01 -4.99987642e-01 3.83629177e-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=6.331212927246807,0.43114131473581485,0.931969207177661,101.26230397056177,0.7368356989501361,0.11726744648916965,0.17316115561267376,0.11048331552506374,0.48017358874703264,0.8324548857886351,0.07363308201056085,0.6808974140214619,0.677900697613339,0.5120743083690651 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.08030635e-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=6.331212927246807,0.43114131473581485,0.931969207177661,101.26230397056177,0.7368356989501361,0.11726744648916965,0.17316115561267376,0.11048331552506374,0.48017358874703264,0.8324548857886351,0.07363308201056085,0.6808974140214619,0.677900697613339,0.5120743083690651 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004308401815005027 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8972,0.4627959,1.0732042,78.7471,0.11727458,0.26313882,0.11058821,0.82689268,0.83242961,0.51978923,0.68083431,0.92636793,0.51202492,0.32212965 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.15634 -1.36459 -5.78271] (Cartesian), [-4.77068437e-07 -4.99987494e-01 -9.99997326e-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=6.328869809437652,0.4312378586843757,0.9317946411941671,101.25285120802799,0.7368607032018775,0.11727725288758473,0.17310684376881613,0.11059088410043971,0.48021029709741847,0.832432284433879,0.07363159780638284,0.6808369880154648,0.6778698691908369,0.5120275925409374 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -6.2086672e-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=6.328869809437652,0.4312378586843757,0.9317946411941671,101.25285120802799,0.7368607032018775,0.11727725288758473,0.17310684376881613,0.11059088410043971,0.48021029709741847,0.832432284433879,0.07363159780638284,0.6808369880154648,0.6778698691908369,0.5120275925409374 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004309499674288073 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8935,0.46301858,1.0734368,78.7574,0.11728235,0.2631066,0.11070563,0.82694852,0.83240183,0.51974452,0.68076434,0.92636589,0.51196869,0.32215968 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.15521 -1.3644 -5.77915] (Cartesian), [-9.43785849e-07 -4.99999427e-01 -9.99988289e-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=6.326253801285763,0.43134581904114727,0.9316016294790868,101.2425747850763,0.7368924536656665,0.11729406163215117,0.17305053989725216,0.11071734492507268,0.4802545370995033,0.8324135408924282,0.07363316701204514,0.6807760493730624,0.6778393760022821,0.5119804051303074 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 4.91878723e-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=6.326253801285763,0.43134581904114727,0.9316016294790868,101.2425747850763,0.7368924536656665,0.11729406163215117,0.17305053989725216,0.11071734492507268,0.4802545370995033,0.8324135408924282,0.07363316701204514,0.6807760493730624,0.6778393760022821,0.5119804051303074 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00431072013813042 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8895,0.46324815,1.0736565,78.7687,0.11729093,0.26307019,0.11083652,0.82701014,0.8323713,0.51969523,0.68068684,0.92636442,0.5119047,0.32219286 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.32328 -1.36415 -0.00755244] (Cartesian), [-9.99992902e-01 -4.99998884e-01 -3.97669396e-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=6.323329438510346,0.4314667007028609,0.9313900438578175,101.23130645497145,0.7369369099013867,0.11729089093934641,0.17299695758079947,0.11083647967001631,0.48031187228612504,0.8323712589287948,0.07364267548850156,0.6806867965971932,0.6778142351305521,0.5119046557561697 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 4.05706269e-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=6.323329438510346,0.4314667007028609,0.9313900438578175,101.23130645497145,0.7369369099013867,0.11729089093934641,0.17299695758079947,0.11083647967001631,0.48031187228612504,0.8323712589287948,0.07364267548850156,0.6806867965971932,0.6778142351305521,0.5119046557561697 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004312075551376009 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.885,0.46351742,1.0739337,78.781,0.11730027,0.263029,0.11098244,0.82707796,0.83233781,0.51964103,0.68060115,0.92636371,0.51183184,0.32222948 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.37934e-05 -1.36391e+00 -7.88587e-06] (Cartesian), [-2.43104839e-06 -5.00012649e-01 -1.36293353e-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=6.320062706179183,0.4316018875563879,0.9311587074690497,101.21898832811462,0.7369685703441058,0.11729890903167206,0.1729196045010386,0.11098107444388705,0.48035653646911536,0.8323364449443289,0.0736338577352349,0.6805997890851776,0.6777680871414211,0.5118304782029559 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.12436532e-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=6.320062706179183,0.4316018875563879,0.9311587074690497,101.21898832811462,0.7369685703441058,0.11729890903167206,0.1729196045010386,0.11098107444388705,0.48035653646911536,0.8323364449443289,0.0736338577352349,0.6805997890851776,0.6777680871414211,0.5118304782029559 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043135789829099255 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.88,0.46379252,1.0742177,78.7944,0.11731034,0.26298234,0.11114473,0.82715249,0.83230117,0.5195816,0.68050662,0.92636417,0.51174899,0.32226979 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.31639 -1.36354 -0.00928466] (Cartesian), [-9.99997229e-01 -4.99990695e-01 2.28714335e-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=6.316414067608973,0.4317530044350235,0.9309073468763817,101.2055947944194,0.7370204305133639,0.11731056723776012,0.17285028383943302,0.11114495981834116,0.4804211667113194,0.8323013975774596,0.0736386057974201,0.6805068464291466,0.6777329812922044,0.5117492193502482 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.88558929e-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=6.316414067608973,0.4317530044350235,0.9309073468763817,101.2055947944194,0.7370204305133639,0.11731056723776012,0.17285028383943302,0.11114495981834116,0.4804211667113194,0.8323013975774596,0.0736386057974201,0.6805068464291466,0.6777329812922044,0.5117492193502482 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004315244367474387 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8745,0.46410758,1.0745255,78.8089,0.117321,0.26292939,0.11132491,0.82723415,0.83226116,0.51951668,0.6804026,0.92636629,0.5116549,0.32231403 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.31228 -2.72639 -0.0102577] (Cartesian), [-9.99991621e-01 -9.99982754e-01 3.90950816e-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=6.312340778974403,0.43192170932279345,0.9306359465474444,101.19111171642272,0.2629377672409725,0.8826793885066819,0.8272425324962236,0.8886754841573743,0.5195250585054147,0.16773922775631345,0.9263746643088839,0.3195977905164291,0.3223224046851274,0.4883454907089 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.42884747e-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=6.312340778974403,0.43192170932279345,0.9306359465474444,101.19111171642272,0.2629377672409725,0.8826793885066819,0.8272425324962236,0.8886754841573743,0.5195250585054147,0.16773922775631345,0.9263746643088839,0.3195977905164291,0.3223224046851274,0.4883454907089 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043170861297200155 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8684,0.46447072,1.0748756,78.8245,0.11733212,0.26286912,0.11152442,0.82732346,0.8322176,0.51944601,0.68028846,0.9263707,0.51154828,0.32236242 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.1477 -1.36286 -5.75507] (Cartesian), [ 5.30778081e-08 -5.00010967e-01 -9.99994331e-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=6.30779383444988,0.4321099078981884,0.9303454069966701,101.17549752113773,0.7371309305513112,0.11733778545684204,0.1726765973625346,0.1115300899885252,0.4805540465860736,0.8322232655149291,0.07362935138060167,0.6802941308754435,0.6776376373871935,0.5115539469014971 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 9.49420173e-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=6.30779383444988,0.4321099078981884,0.9303454069966701,101.17549752113773,0.7371309305513112,0.11733778545684204,0.1726765973625346,0.1115300899885252,0.4805540465860736,0.8322232655149291,0.07362935138060167,0.6802941308754435,0.6776376373871935,0.5115539469014971 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004319121090640102 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8618,0.46484015,1.0752158,78.8411,0.11734328,0.26280043,0.11174502,0.82742073,0.83217019,0.51936956,0.68016351,0.92637819,0.51142765,0.32241526 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.30268 -1.3624 -0.0124236] (Cartesian), [-9.99995112e-01 -5.00001800e-01 -6.15288498e-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=6.302723752295703,0.43231947010606925,0.930036030689912,101.15885402009582,0.7372044576232191,0.11734266646891323,0.17258415770392155,0.11174440962344079,0.4806353248953241,0.8321695776733189,0.07362669983954517,0.6801628947348504,0.677589624010364,0.5114270318399852 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.50347814e-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=6.302723752295703,0.43231947010606925,0.930036030689912,101.15885402009582,0.7372044576232191,0.11734266646891323,0.17258415770392155,0.11174440962344079,0.4806353248953241,0.8321695776733189,0.07362669983954517,0.6801628947348504,0.677589624010364,0.5114270318399852 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004321364803521317 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8545,0.46524895,1.0756,78.8587,0.11735403,0.26272259,0.1119882,0.82752645,0.83211892,0.51928665,0.68002753,0.92638961,0.51129144,0.32247257 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.53006e-06 -1.36190e+00 -1.71242e-05] (Cartesian), [-2.05419185e-06 -4.99997665e-01 -2.97758162e-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=6.2970739624931635,0.4325521247027623,0.9297109783009531,101.1413327842238,0.7372753523284863,0.11735105655257994,0.17247149605322498,0.11198522562906299,0.4807112978254131,0.832115941294566,0.07360834071408329,0.6800245552710722,0.6775253766904645,0.5112884615823652 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.88445697e-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=6.2970739624931635,0.4325521247027623,0.9297109783009531,101.1413327842238,0.7372753523284863,0.11735105655257994,0.17247149605322498,0.11198522562906299,0.4807112978254131,0.832115941294566,0.07360834071408329,0.6800245552710722,0.6775253766904645,0.5112884615823652 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004323836803260996 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8465,0.46569743,1.0759942,78.877,0.11736383,0.26263315,0.11225547,0.82764087,0.83206323,0.51919835,0.67987935,0.92640642,0.51113798,0.32253507 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.98620e-06 -1.36135e+00 -1.04166e-05] (Cartesian), [-1.59837053e-06 -4.99996673e-01 -1.81251663e-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=6.290777150258704,0.4328110902252616,0.9293722737087725,101.12299558154021,0.7373652531450514,0.11736201720202843,0.1723575279323355,0.11225365369885854,0.4808000526892382,0.8320614140952802,0.07359197865932932,0.6798775414839713,0.6774633308402862,0.5111361635222123 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -2.8399074e-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=6.290777150258704,0.4328110902252616,0.9293722737087725,101.12299558154021,0.7373652531450514,0.11736201720202843,0.1723575279323355,0.11225365369885854,0.4808000526892382,0.8320614140952802,0.07359197865932932,0.6798775414839713,0.6774633308402862,0.5111361635222123 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004326543614286074 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8379,0.46617791,1.0763802,78.8959,0.11737032,0.26253039,0.11254422,0.82776571,0.83200391,0.51910384,0.67971991,0.9264299,0.51097204,0.3226004 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.49301e-05 -1.36076e+00 -1.86116e-05] (Cartesian), [-2.96366019e-06 -5.00009940e-01 -3.24224553e-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=6.283758586676486,0.43309523468549127,0.9290386792394941,101.10410979288008,0.7374666431992354,0.11736707452053574,0.17223132273571973,0.11254097622690606,0.48089319716754253,0.8320006664378976,0.07356713218978861,0.6797166695603467,0.6773966404051843,0.5109687947783241 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 8.75613072e-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=6.283758586676486,0.43309523468549127,0.9290386792394941,101.10410979288008,0.7374666431992354,0.11736707452053574,0.17223132273571973,0.11254097622690606,0.48089319716754253,0.8320006664378976,0.07356713218978861,0.6797166695603467,0.6773966404051843,0.5109687947783241 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004329495328839715 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8286,0.46666438,1.0767423,78.9148,0.11737066,0.26241168,0.11285134,0.82790281,0.83194151,0.51900338,0.67954947,0.92646163,0.5107991,0.32266653 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.13947 -1.36 -5.734 ] (Cartesian), [-0.99999073 -0.499997 -0.99998854] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.275936943564312,0.43340402061886835,0.9287296679113385,101.08516386683432,0.7375975863322202,0.11738212456624408,0.17210646380679173,0.11286280423406536,0.481005889483737,0.8319529714329303,0.0735476401069155,0.6795609350643383,0.6773427356748449,0.5108105584735556 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -7.00446434e-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=6.275936943564312,0.43340402061886835,0.9287296679113385,101.08516386683432,0.7375975863322202,0.11738212456624408,0.17210646380679173,0.11286280423406536,0.481005889483737,0.8319529714329303,0.0735476401069155,0.6795609350643383,0.6773427356748449,0.5108105584735556 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004332703794922347 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8189,0.46715015,1.0770421,78.9334,0.11736179,0.26227397,0.11317411,0.82805386,0.83187653,0.5188974,0.67936839,0.92650335,0.51062412,0.32273168 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.13343 -2.71829 -5.72582] (Cartesian), [-0.99999365 -0.99998606 -0.99999907] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.267226275436669,0.43373699614499917,0.9284651212721192,101.06656487378707,0.2622803285968345,0.8826391423392344,0.8280602120506899,0.8868268197214451,0.518903751371889,0.1681244044814827,0.9265097022566238,0.32063254390512785,0.32273803254133293,0.48937681383312714 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.65621449e-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=6.267226275436669,0.43373699614499917,0.9284651212721192,101.06656487378707,0.2622803285968345,0.8826391423392344,0.8280602120506899,0.8868268197214451,0.518903751371889,0.1681244044814827,0.9265097022566238,0.32063254390512785,0.32273803254133293,0.48937681383312714 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00433618232975828 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8086,0.46765141,1.077282,78.9513,0.11734232,0.26211475,0.11351204,0.82821972,0.8318092,0.51878643,0.67917625,0.92655694,0.51044779,0.32279543 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.1265 -1.35821 -5.71695] (Cartesian), [-0.99999302 -0.50000803 -0.99999782] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.257530208619657,0.4340972094707535,0.9282582030151165,101.04866955933745,0.7378922308906541,0.11734450073918579,0.1717872620268177,0.11351421777179871,0.4812205488665182,0.8318113771163023,0.07345004639595354,0.679178430981314,0.6772115517738821,0.5104499687791901 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.19610172e-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=6.257530208619657,0.4340972094707535,0.9282582030151165,101.04866955933745,0.7378922308906541,0.11734450073918579,0.1717872620268177,0.11351421777179871,0.4812205488665182,0.8318113771163023,0.07345004639595354,0.679178430981314,0.6772115517738821,0.5104499687791901 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00433994997972231 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7978,0.46812584,1.0774432,78.9681,0.11730902,0.26193094,0.11386447,0.82840142,0.83173976,0.51867075,0.67897363,0.92662418,0.510272,0.32285662 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.50266e-05 -1.35704e+00 -7.71452e-06] (Cartesian), [-2.64876748e-06 -4.99992259e-01 -1.34698018e-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=6.246759226667111,0.43448481384168813,0.9281262039237016,101.03186984068284,0.7380664105923076,0.11730767554224752,0.1715959302326322,0.11386312012573985,0.48132660118455806,0.8317384159335901,0.07337316920576198,0.6789722807587784,0.6771407267286773,0.5102706569758224 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.71349284e-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=6.246759226667111,0.43448481384168813,0.9281262039237016,101.03186984068284,0.7380664105923076,0.11730767554224752,0.1715959302326322,0.11386312012573985,0.48132660118455806,0.8317384159335901,0.07337316920576198,0.6789722807587784,0.6771407267286773,0.5102706569758224 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004344020495669213 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7865,0.46859069,1.0774734,78.9834,0.1172592,0.2617188,0.11422992,0.82860046,0.83166867,0.51855162,0.67876002,0.92670708,0.51009957,0.32291472 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 3.36827e-06 -1.35574e+00 -1.83019e-05] (Cartesian), [-4.16303426e-08 -4.99990498e-01 -3.22427643e-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=6.234804760810222,0.43490239575467904,0.9280887733809068,101.01662599493397,0.7382811545918329,0.11725597126492593,0.17139950062403986,0.11422669143498965,0.4814483354314063,0.8316654444003393,0.0732928819374401,0.6787567960289032,0.6770852386371846,0.5100963485913037 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -5.8021247e-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=6.234804760810222,0.43490239575467904,0.9280887733809068,101.01662599493397,0.7382811545918329,0.11725597126492593,0.17139950062403986,0.11422669143498965,0.4814483354314063,0.8316654444003393,0.0732928819374401,0.6787567960289032,0.6770852386371846,0.5100963485913037 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004348402654421293 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7747,0.46904601,1.0773893,78.9956,0.11718744,0.26147308,0.11460502,0.82881653,0.83159649,0.51843241,0.67853761,0.92681129,0.5099364,0.32297036 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.12220e+00 -1.13606e-05 -5.66460e+00] (Cartesian), [-2.10596450e-06 -4.19434048e-06 -9.99996421e-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=6.221553379243434,0.4353502069902445,0.9281784153748135,101.00435975642996,0.2614709717426862,0.8828161408118302,0.8288144208211177,0.8853985588652393,0.5184303077441832,0.16840709363744288,0.9268091857607059,0.3214659717182524,0.3229682550994406,0.4900671827325569 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -8.51505596e-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=6.221553379243434,0.4353502069902445,0.9281784153748135,101.00435975642996,0.2614709717426862,0.8828161408118302,0.8288144208211177,0.8853985588652393,0.5184303077441832,0.16840709363744288,0.9268091857607059,0.3214659717182524,0.3229682550994406,0.4900671827325569 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004353093638185321 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7627,0.46941538,1.0770819,79.0026,0.11708447,0.26118753,0.11498568,0.82904802,0.83152395,0.51831961,0.678311,0.92694421,0.50979273,0.32302881 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.08747 -1.35254 -5.67496] (Cartesian), [-0.99999668 -0.4999921 -0.99999644] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.20691873295292,0.43582376975420134,0.9284346093234089,100.99743145103143,0.7388157960261938,0.11708803634317877,0.17095529830535416,0.1149892459206261,0.48168371309908475,0.8315275094099932,0.07305910926428405,0.6783145653317826,0.676974513324947,0.5097962912303129 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 8.44914092e-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=6.20691873295292,0.43582376975420134,0.9284346093234089,100.99743145103143,0.7388157960261938,0.11708803634317877,0.17095529830535416,0.1149892459206261,0.48168371309908475,0.8315275094099932,0.07305910926428405,0.6783145653317826,0.676974513324947,0.5097962912303129 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004358108110340939 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7504,0.46974124,1.0766034,79.0048,0.11694496,0.26086333,0.1153793,0.82929798,0.83145198,0.5182125,0.67807956,0.92709626,0.50966716,0.32309828 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.19085 -1.3506 -0.0218247] (Cartesian), [-9.99994096e-01 -4.99999457e-01 1.23446751e-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=6.190924886142077,0.4363165416857628,0.9288427428641292,100.99521694356797,0.7391425735238091,0.1169450849071485,0.17070792700878012,0.11537942474221086,0.4817934029748956,0.8314521024154176,0.07290964391346177,0.6780796789558781,0.6769076201283237,0.5096672785711343 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 3.3779372e-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=6.190924886142077,0.4363165416857628,0.9288427428641292,100.99521694356797,0.7391425735238091,0.1169450849071485,0.17070792700878012,0.11537942474221086,0.4817934029748956,0.8314521024154176,0.07290964391346177,0.6780796789558781,0.6769076201283237,0.5096672785711343 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004363465276606147 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7378,0.47000593,1.075935,79.0021,0.11676087,0.26049776,0.11578988,0.82956908,0.8313814,0.51811283,0.67784295,0.92726282,0.5095616,0.32318331 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.17345 -1.34841 -0.0212608] (Cartesian), [-9.99995411e-01 -5.00012882e-01 -2.04464322e-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=6.173517181265779,0.43682562820715837,0.9294142666132733,100.99792245265935,0.739506829513414,0.11675882957728412,0.17043550655561668,0.11578783593489805,0.48189176223193075,0.8313793517930907,0.0727417682391216,0.6778409082858152,0.6768212801652873,0.5095595562875617 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.63595327e-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=6.173517181265779,0.43682562820715837,0.9294142666132733,100.99792245265935,0.739506829513414,0.11675882957728412,0.17043550655561668,0.11578783593489805,0.48189176223193075,0.8313793517930907,0.0727417682391216,0.6778409082858152,0.6768212801652873,0.5095595562875617 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043691719179356405 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.725,0.47016594,1.0750393,78.9936,0.11650884,0.26008705,0.11622178,0.82986335,0.83131272,0.51802492,0.67761658,0.92743813,0.50948297,0.32328607 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.11147 -1.34586 -5.61607] (Cartesian), [ 6.07465818e-07 -5.00008541e-01 -9.99997235e-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=6.154590362115535,0.4373441383682539,0.9302022195164528,101.00638103504045,0.7399135550601317,0.11651160467872135,0.17013725320720852,0.11622454336737409,0.4819756912116222,0.8313154823907407,0.07256248113717723,0.6776193491198454,0.6767145411956044,0.509485737538562 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -6.60360784e-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=6.154590362115535,0.4373441383682539,0.9302022195164528,101.00638103504045,0.7399135550601317,0.11651160467872135,0.17013725320720852,0.11622454336737409,0.4819756912116222,0.8313154823907407,0.07256248113717723,0.6776193491198454,0.6767145411956044,0.509485737538562 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004375248202118216 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7126,0.4701537,1.0737843,78.9751,0.11615206,0.25962504,0.11667037,0.8301827,0.83124417,0.51795992,0.67740542,0.92760983,0.50945496,0.32341218 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.57563e-07 -2.68580e+00 -1.15554e-05] (Cartesian), [-4.63536416e-07 -9.99993048e-01 -2.06052891e-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=6.134097282256417,0.4378506810950933,0.9312809814956249,101.02492698511297,0.25962457540860817,0.883845881299198,0.8301822361959776,0.8833275700924186,0.5179594613740033,0.1687537706777773,0.9276093622780301,0.322592521118795,0.32341171768641575,0.49054297698786997 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.38575416e-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=6.134097282256417,0.4378506810950933,0.9312809814956249,101.02492698511297,0.25962457540860817,0.883845881299198,0.8301822361959776,0.8833275700924186,0.5179594613740033,0.1687537706777773,0.9276093622780301,0.322592521118795,0.32341171768641575,0.49054297698786997 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004381865203268569 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7019,0.46979077,1.0719059,78.9274,0.11554692,0.25907689,0.11711587,0.8305401,0.83116594,0.51797155,0.67720015,0.92774596,0.5095757,0.32358421 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.00325 -1.33936 -5.60789] (Cartesian), [-0.99999421 -0.5000087 -0.999996 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.111923098881152,0.43827014387554164,0.932915889447226,101.07255808987256,0.7409289001614521,0.11555091933412531,0.1694656913757342,0.11711986269317398,0.4820342339803989,0.8311699409155366,0.07225983076794096,0.6772041512839007,0.6764215814336516,0.5095796940205861 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.84702817e-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=6.111923098881152,0.43827014387554164,0.932915889447226,101.07255808987256,0.7409289001614521,0.11555091933412531,0.1694656913757342,0.11711986269317398,0.4820342339803989,0.8311699409155366,0.07225983076794096,0.6772041512839007,0.6764215814336516,0.5095796940205861 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004404632575143846 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6931,0.46897121,1.0662205,78.8307,0.11160871,0.25687102,0.11951448,0.83241921,0.83057367,0.51921148,0.67635007,0.92669538,0.51065773,0.32475956 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.54118e-05 -1.33495e+00 -3.22864e-06] (Cartesian), [-2.64403951e-06 -4.99998534e-01 -5.75148577e-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=6.070059251757427,0.43984872625899263,0.9378977924281547,101.16928306309626,0.7431263400511021,0.11160813110785206,0.16757814896552903,0.11951390266335782,0.48078587437159603,0.8305730932558877,0.07330197664166294,0.6763494959610035,0.6752377998563808,0.5106571537094244 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.05470435e-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=6.070059251757427,0.43984872625899263,0.9378977924281547,101.16928306309626,0.7431263400511021,0.11160813110785206,0.16757814896552903,0.11951390266335782,0.48078587437159603,0.8305730932558877,0.07330197664166294,0.6763494959610035,0.6752377998563808,0.5106571537094244 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004424911302743892 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7394,0.46536223,1.0419033,78.56,0.10959289,0.2516451,0.11961372,0.83284081,0.83175853,0.51955939,0.67450658,0.92626228,0.5105334,0.32605508 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.85826e-06 -1.33546e+00 -6.78088e-06] (Cartesian), [-1.37309132e-06 -5.00012631e-01 -1.20980787e-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=5.979880668285975,0.44663977036881625,0.959781843009522,101.43998095240033,0.748353528418209,0.10959168421637111,0.16715781743075175,0.11961251405540008,0.48043923418247947,0.8317573234135072,0.07373634245758787,0.6745053732522124,0.6739435478811862,0.5105321864600274 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.41857755e-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=5.979880668285975,0.44663977036881625,0.959781843009522,101.43998095240033,0.748353528418209,0.10959168421637111,0.16715781743075175,0.11961251405540008,0.48043923418247947,0.8317573234135072,0.07373634245758787,0.6745053732522124,0.6739435478811862,0.5105321864600274 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004426733197554964 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7249,0.46421772,1.0419396,78.5172,0.10923279,0.25193777,0.1199179,0.83313086,0.83145509,0.51921803,0.67453594,0.9262951,0.51080382,0.32591014 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.11732 -2.65759 -5.6148 ] (Cartesian), [-1.61041147e-06 -9.99984763e-01 -9.99995536e-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=5.96497918573222,0.4455389383774291,0.9597550665295888,101.48282968521316,0.25193616370517935,0.890771670020593,0.8331292485634061,0.8800865595402083,0.5192164188986914,0.1685493689869335,0.9262934889523362,0.3254685227636416,0.32590853130180775,0.4892006437304204 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.18024913e-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=5.96497918573222,0.4455389383774291,0.9597550665295888,101.48282968521316,0.25193616370517935,0.890771670020593,0.8331292485634061,0.8800865595402083,0.5192164188986914,0.1685493689869335,0.9262934889523362,0.3254685227636416,0.32590853130180775,0.4892006437304204 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004428241287245308 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7097,0.46298404,1.0420337,78.47,0.10890184,0.252261,0.12017943,0.83345359,0.83113791,0.51886035,0.67456518,0.92631454,0.5111189,0.3257337 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.11672 -2.6435 -5.59942] (Cartesian), [-3.42074851e-07 -9.99996656e-01 -9.99995867e-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=5.9496854241280035,0.44431069064026774,0.9596666543465551,101.53003157789765,0.2522606613930902,0.8911022896051377,0.8334532432690969,0.8798247016734537,0.5188600121690896,0.16886622533106976,0.9263142013336125,0.3254389520980778,0.3257333568002201,0.4888852304770741 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 7.9964945e-18] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9496854241280035,0.44431069064026774,0.9596666543465551,101.53003157789765,0.2522606613930902,0.8911022896051377,0.8334532432690969,0.8798247016734537,0.5188600121690896,0.16886622533106976,0.9263142013336125,0.3254389520980778,0.3257333568002201,0.4888852304770741 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00442941608677082 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6938,0.46164249,1.0421862,78.4175,0.1085988,0.25261809,0.12039379,0.83381224,0.83080696,0.51848561,0.67459573,0.92631867,0.51148257,0.32552431 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.81766 -1.31426 -5.55466] (Cartesian), [-0.9999921 -0.50001228 -0.99999777] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.934034328725833,0.4429457778335256,0.959516485870419,101.58249431608536,0.7473898114006352,0.10860102753741208,0.16619566110511252,0.12039602506676994,0.4815222867045654,0.8308091877337489,0.07368923259178439,0.6745979595159655,0.6744835920355703,0.5114847972934875 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.77902946e-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=5.934034328725833,0.4429457778335256,0.959516485870419,101.58249431608536,0.7473898114006352,0.10860102753741208,0.16619566110511252,0.12039602506676994,0.4815222867045654,0.8308091877337489,0.07368923259178439,0.6745979595159655,0.6744835920355703,0.5114847972934875 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430243997092207 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6772,0.46015642,1.0424329,78.3588,0.10832111,0.25301288,0.12055661,0.83421066,0.83046178,0.51809288,0.67462899,0.9263051,0.51189934,0.32528032 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.11598 -2.61239 -5.56642] (Cartesian), [-5.49700498e-07 -9.99983871e-01 -9.99991079e-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=5.9180703769870275,0.4414330969849835,0.9593055046047324,101.64123872337142,0.25301232837261156,0.8916878120543728,0.8342101118436187,0.8794523131911731,0.518092330740666,0.16954714621696798,0.9263045543368493,0.3253799329390601,0.32527976874374565,0.48810958549230143 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 7.9319626e-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=5.9180703769870275,0.4414330969849835,0.9593055046047324,101.64123872337142,0.25301232837261156,0.8916878120543728,0.8342101118436187,0.8794523131911731,0.518092330740666,0.16954714621696798,0.9263045543368493,0.3253799329390601,0.32527976874374565,0.48810958549230143 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430721017082282 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6601,0.45854314,1.0427024,78.2926,0.10806425,0.25344989,0.12066385,0.83465322,0.83010129,0.51768126,0.67466636,0.92627105,0.51237455,0.32499997 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.90168 -1.2977 0.0346115] (Cartesian), [-9.99988645e-01 -5.00001591e-01 -1.86939097e-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=5.901848720980116,0.4397591096723575,0.9590364189329154,101.70744527909372,0.7465614651565284,0.10806406063371021,0.16535813780129827,0.12066365971051796,0.4823300973039182,0.8301011042557023,0.07374030214632588,0.6746661727173064,0.6750113877005872,0.5123743610170082 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.42331839e-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=5.901848720980116,0.4397591096723575,0.9590364189329154,101.70744527909372,0.7465614651565284,0.10806406063371021,0.16535813780129827,0.12066365971051796,0.4823300973039182,0.8301011042557023,0.07374030214632588,0.6746661727173064,0.6750113877005872,0.5123743610170082 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430921354816223 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6429,0.45671552,1.0429566,78.2194,0.10782829,0.25393959,0.120676,0.83515391,0.82972546,0.5172395,0.67471249,0.92622541,0.51289279,0.32469065 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.88703e-06 -2.57720e+00 -1.59837e-05] (Cartesian), [-1.04001308e-06 -9.99996078e-01 -2.89682777e-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=5.88528841377379,0.4379071893167326,0.9588067722139649,101.78059528449157,0.2539385519679689,0.8921688093066056,0.8351528727406214,0.8793211069738804,0.5172384566714021,0.1702716478801083,0.9262243741374938,0.32528461599904723,0.32468961315754363,0.48710431048532765 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.20969388e-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=5.88528841377379,0.4379071893167326,0.9588067722139649,101.78059528449157,0.2539385519679689,0.8921688093066056,0.8351528727406214,0.8793211069738804,0.5172384566714021,0.1702716478801083,0.9262243741374938,0.32528461599904723,0.32468961315754363,0.48710431048532765 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044309478681917236 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.626,0.45463918,1.0430679,78.1392,0.10760685,0.25448992,0.12057222,0.83572574,0.82933368,0.51675886,0.67476546,0.92617124,0.51344482,0.32435952 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.75129e+00 -1.07867e-05 -5.47197e+00] (Cartesian), [-9.99991356e-01 -4.21724992e-06 -9.99999443e-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=5.868341980859156,0.4358568208927294,0.9587032825702952,101.86080869616237,0.25449856343288024,0.8923937034746277,0.8357343833446211,0.8794283350450844,0.5167675044224072,0.17066687655119184,0.9261798842086275,0.32523509538606277,0.3243681623200869,0.48655573809753383 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.81011985e-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=5.868341980859156,0.4358568208927294,0.9587032825702952,101.86080869616237,0.25449856343288024,0.8923937034746277,0.8357343833446211,0.8794283350450844,0.5167675044224072,0.17066687655119184,0.9261798842086275,0.32523509538606277,0.3243681623200869,0.48655573809753383 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430918124386088 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6096,0.45226041,1.0430334,78.0512,0.10736948,0.25509096,0.12038433,0.83635241,0.82892406,0.51625355,0.67482307,0.92610176,0.51403537,0.32401051 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.73301 -2.537 -5.45064] (Cartesian), [-0.99999102 -0.99999743 -0.99999226] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.851038763936816,0.43359933617469965,0.9587398878120056,101.94878142747497,0.25509994383146695,0.8926382598196558,0.8363613945639019,0.8796234081005911,0.5162625338555107,0.1710836757262888,0.9261107446767691,0.32518467324289624,0.32401949603646285,0.48597236986966186 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.24467437e-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=5.851038763936816,0.43359933617469965,0.9587398878120056,101.94878142747497,0.25509994383146695,0.8926382598196558,0.8363613945639019,0.8796234081005911,0.5162625338555107,0.1710836757262888,0.9261107446767691,0.32518467324289624,0.32401949603646285,0.48597236986966186 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431098563058037 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5939,0.44957901,1.0428145,77.9563,0.10704568,0.25571192,0.1201923,0.83697841,0.82849298,0.51576554,0.6748874,0.92600757,0.51466851,0.32365408 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.11907 -1.25744 -5.48081] (Cartesian), [-1.67731885e-06 -4.99986301e-01 -9.99996540e-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=5.833363324023966,0.431131880979951,0.9589511653669948,102.04371102795227,0.7442863990768389,0.10704913720298936,0.16301991029676488,0.12019575939302585,0.48423278674313397,0.8284964407756839,0.07399075267482713,0.6748908583932316,0.6763442388944567,0.5146719693823489 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -4.35242914e-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=5.833363324023966,0.431131880979951,0.9589511653669948,102.04371102795227,0.7442863990768389,0.10704913720298936,0.16301991029676488,0.12019575939302585,0.48423278674313397,0.8284964407756839,0.07399075267482713,0.6748908583932316,0.6763442388944567,0.5146719693823489 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00443199417026985 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5808,0.44626218,1.0421087,77.8398,0.10644881,0.25637634,0.1200267,0.83763544,0.82799413,0.51533054,0.67496838,0.92583159,0.51545229,0.32326902 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.8155 -2.49049 0.0574354] (Cartesian), [-9.99989478e-01 -9.99985491e-01 3.69762141e-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=5.81584437684052,0.42823122038432404,0.9595817042664361,102.1601585705696,0.2563868636290749,0.8935515598574955,0.8376459666973866,0.8799736663814013,0.5153410594811105,0.17200624117115781,0.9258421129612702,0.32503199101275726,0.32327953982075774,0.4845480751979463 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.74607591e-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=5.81584437684052,0.42823122038432404,0.9595817042664361,102.1601585705696,0.2563868636290749,0.8935515598574955,0.8376459666973866,0.8799736663814013,0.5153410594811105,0.17200624117115781,0.9258421129612702,0.32503199101275726,0.32327953982075774,0.4845480751979463 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00443799014872721 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5848,0.4398367,1.0388913,77.5814,0.10403969,0.25718543,0.12013203,0.83858503,0.82708061,0.51536861,0.67514349,0.92514936,0.51726643,0.32274207 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.13294 -2.45639 -5.46867] (Cartesian), [ 8.70630711e-07 -9.99978826e-01 -9.99996845e-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=5.801991416775941,0.42337911888337476,0.962567572972221,102.41855882024377,0.2571863020327343,0.8959634642435979,0.8385859006167355,0.8798711277670366,0.5153694828548445,0.17292254894422432,0.9251502268597527,0.3248596688064598,0.3227429426092505,0.4827367276368577 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.68295969e-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=5.801991416775941,0.42337911888337476,0.962567572972221,102.41855882024377,0.2571863020327343,0.8959634642435979,0.8385859006167355,0.8798711277670366,0.5153694828548445,0.17292254894422432,0.9251502268597527,0.3248596688064598,0.3227429426092505,0.4827367276368577 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004438943534792381 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5648,0.43778752,1.0385459,77.5098,0.10365155,0.25749367,0.12012122,0.83902646,0.82675455,0.51515697,0.67514493,0.92509874,0.51772528,0.32256722 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.13208 -1.2181 -5.44842] (Cartesian), [-5.31284376e-07 -4.99999798e-01 -9.99994460e-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=5.779266857826158,0.4215415285298764,0.9628939865303614,102.49022116717575,0.7425058006549383,0.10365708642551574,0.1609730065046726,0.12012676418520174,0.4848424955894992,0.826760085576909,0.07490073248259344,0.6751504743164314,0.6774322475982872,0.5177308194556245 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -9.62132043e-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=5.779266857826158,0.4215415285298764,0.9628939865303614,102.49022116717575,0.7425058006549383,0.10365708642551574,0.1609730065046726,0.12012676418520174,0.4848424955894992,0.826760085576909,0.07490073248259344,0.6751504743164314,0.6774322475982872,0.5177308194556245 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044391344848991945 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5407,0.4363889,1.038533,77.466,0.10354451,0.25772779,0.12009238,0.83936527,0.82652196,0.51491426,0.67512906,0.92512443,0.51798019,0.32244541 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.12924e+00 -1.00099e-05 -5.42439e+00] (Cartesian), [ 9.05017160e-08 -4.13998340e-06 -9.99988899e-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=5.754158354447257,0.4201934999978639,0.9629116915931454,102.53396099750259,0.25772787640715844,0.8964665901870665,0.8393653593781802,0.8799187173038319,0.5149143474230446,0.1734891403631993,0.9251245177466165,0.32488204392724973,0.32244549932874467,0.4820309123161852 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -3.3272288e-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=5.754158354447257,0.4201934999978639,0.9629116915931454,102.53396099750259,0.25772787640715844,0.8964665901870665,0.8393653593781802,0.8799187173038319,0.5149143474230446,0.1734891403631993,0.9251245177466165,0.32488204392724973,0.32244549932874467,0.4820309123161852 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004439084032644527 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5147,0.43523673,1.0385696,77.433,0.10351911,0.25791596,0.12006138,0.83964706,0.82633218,0.51468549,0.67511049,0.92517008,0.51816194,0.32235123 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.12552 -2.40019 -5.39861] (Cartesian), [-5.22431996e-07 -9.99977835e-01 -9.99992942e-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=5.727366947769246,0.41908318830152075,0.9628731240191652,102.56701221646134,0.2579154420199623,0.896487951795101,0.8396465372049344,0.8799456781994395,0.5146849641639801,0.17367487881707122,0.9251695568428162,0.3248965642903343,0.3223507061198614,0.48184511932056573 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.00078093e-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=5.727366947769246,0.41908318830152075,0.9628731240191652,102.56701221646134,0.2579154420199623,0.896487951795101,0.8396465372049344,0.8799456781994395,0.5146849641639801,0.17367487881707122,0.9251695568428162,0.3248965642903343,0.3223507061198614,0.48184511932056573 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004438897541968803 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4873,0.43429373,1.0385982,77.4066,0.10353145,0.25806687,0.12002832,0.83988575,0.82617297,0.5144795,0.67509286,0.92522299,0.51830305,0.32227685 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.69853e+00 -1.19764e-05 7.99052e-02] (Cartesian), [-9.99994388e-01 -5.02565601e-06 -5.15555604e-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=5.699122790212135,0.4181436629422954,0.962829816428635,102.59343892356479,0.25807248350803547,0.8964680378363703,0.8398913578257079,0.8799711612959058,0.5144851105256618,0.1738265167484354,0.9252286029530625,0.3249066236185545,0.3222824595393048,0.48169643545291696 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.51748122e-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=5.699122790212135,0.4181436629422954,0.962829816428635,102.59343892356479,0.25807248350803547,0.8964680378363703,0.8398913578257079,0.8799711612959058,0.5144851105256618,0.1738265167484354,0.9252286029530625,0.3249066236185545,0.3222824595393048,0.48169643545291696 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004438615319180184 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.4587,0.43345485,1.0386356,77.3851,0.1035647,0.25818646,0.11999141,0.84008865,0.82603854,0.51429869,0.67507803,0.92527824,0.51841822,0.32221753 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.34110e-06 -1.18304e+00 -1.76724e-05] (Cartesian), [-2.30590510e-06 -4.99986536e-01 -3.34216394e-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=5.6695730948283725,0.4173407193632445,0.9627975211546566,102.61489404401297,0.7418112385358611,0.10356135591103066,0.15990903973078563,0.11998806559911124,0.48569900880674344,0.8260352023721511,0.07471945509646805,0.6750746872718154,0.6777801634586473,0.5184148765719894 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 7.09968223e-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=5.6695730948283725,0.4173407193632445,0.9627975211546566,102.61489404401297,0.7418112385358611,0.10356135591103066,0.15990903973078563,0.11998806559911124,0.48569900880674344,0.8260352023721511,0.07471945509646805,0.6750746872718154,0.6777801634586473,0.5184148765719894 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004438255856827968 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.429,0.43275005,1.0386443,77.3676,0.10361076,0.25827971,0.1199488,0.84026051,0.82592525,0.51414337,0.67506735,0.92533355,0.51851573,0.32216997 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.6382 -2.34939 0.0809429] (Cartesian), [-9.99990147e-01 -9.99982176e-01 -1.89141205e-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=5.638836771411484,0.4166518681921886,0.962779454113333,102.63235805952647,0.2582895663747562,0.8963890552146163,0.840270360672009,0.880051013274066,0.5141532263780502,0.17407456358817797,0.92534340186972,0.3249324589297071,0.3221798261860396,0.48148408334492854 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 5.56593883e-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=5.638836771411484,0.4166518681921886,0.962779454113333,102.63235805952647,0.2582895663747562,0.8963890552146163,0.840270360672009,0.880051013274066,0.5141532263780502,0.17407456358817797,0.92534340186972,0.3249324589297071,0.3221798261860396,0.48148408334492854 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044378319903392955 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3983,0.43215457,1.0386603,77.3536,0.10366537,0.25835082,0.11989896,0.84040458,0.8258303,0.5140132,0.67506165,0.92538793,0.51860087,0.3221316 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.60641e+00 -1.04987e-05 8.11706e-02] (Cartesian), [-9.99997202e-01 -4.50035961e-06 -2.29267810e-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=5.607013532567292,0.41606070804778483,0.962774395464731,102.64641122222243,0.2583536170672671,0.8963344039084493,0.8404073760749036,0.8801008058714221,0.5140159956396082,0.17416946797128885,0.9253907301493425,0.3249381208156219,0.3221343954799136,0.48139890120565987 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 1.35183771e-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=5.607013532567292,0.41606070804778483,0.962774395464731,102.64641122222243,0.2583536170672671,0.8963344039084493,0.8404073760749036,0.8801008058714221,0.5140159956396082,0.17416946797128885,0.9253907301493425,0.3249381208156219,0.3221343954799136,0.48139890120565987 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00443735333289016 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3667,0.43162465,1.0386644,77.3426,0.1037262,0.25840318,0.11984072,0.84052331,0.8257516,0.51390734,0.67506156,0.92544108,0.51867711,0.32210044 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.09952 -1.15821 -5.25285] (Cartesian), [ 4.41958962e-07 -5.00008926e-01 -9.99994784e-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=5.5741863833749115,0.41555457441375726,0.9627806738667014,102.65738565558895,0.7415972654337746,0.10373142055816054,0.15947713465776525,0.11984593816974032,0.48609310429144603,0.8257568118906744,0.0745593612396156,0.6750667718678423,0.6778999973121387,0.5186823281129023 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.41268487e-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=5.5741863833749115,0.41555457441375726,0.9627806738667014,102.65738565558895,0.7415972654337746,0.10373142055816054,0.15947713465776525,0.11984593816974032,0.48609310429144603,0.8257568118906744,0.0745593612396156,0.6750667718678423,0.6778999973121387,0.5186823281129023 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004436827993526539 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3343,0.43117185,1.0386367,77.3344,0.10379181,0.25843954,0.11977335,0.84061862,0.82568733,0.51382493,0.67506734,0.92549298,0.51874694,0.32207499 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.44655 -1.15001 -5.13992] (Cartesian), [-0.99999255 -0.50001268 -0.9999992 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.540429178845891,0.4151233804664355,0.9627955340510378,102.66555190812416,0.7415679051989916,0.10379260592303607,0.1593888310816589,0.11977414391467622,0.4861825161330444,0.8256881262771398,0.07451446980811216,0.6750681407767165,0.6779324598909962,0.5187477374958682 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.41988416e-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=5.540429178845891,0.4151233804664355,0.9627955340510378,102.66555190812416,0.7415679051989916,0.10379260592303607,0.1593888310816589,0.11977414391467622,0.4861825161330444,0.8256881262771398,0.07451446980811216,0.6750681407767165,0.6779324598909962,0.5187477374958682 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044362717723281314 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.301,0.43078664,1.0386342,77.3295,0.10386277,0.2584631,0.11969504,0.84069334,0.82563431,0.5137635,0.67507813,0.92554231,0.51881561,0.3220545 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.41857e+00 -2.75075e-06 -5.10753e+00] (Cartesian), [-9.99998880e-01 -1.20457317e-06 -9.99989147e-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=5.505799630654226,0.41476063947485386,0.9628101179931873,102.67045729494512,0.25846422319999807,0.8961480851150727,0.8406944553193108,0.8803158089456122,0.5137646239889644,0.17437654492812893,0.9255434321051528,0.32493272555886876,0.3220556166743789,0.48119524562936955 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -6.20990565e-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=5.505799630654226,0.41476063947485386,0.9628101179931873,102.67045729494512,0.25846422319999807,0.8961480851150727,0.8406944553193108,0.8803158089456122,0.5137646239889644,0.17437654492812893,0.9255434321051528,0.32493272555886876,0.3220556166743789,0.48119524562936955 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004435700394472153 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.2669,0.43046194,1.0386185,77.3284,0.10393992,0.25847651,0.11960426,0.84074991,0.82558965,0.51372068,0.67509289,0.92558797,0.5188879,0.32203847 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.39 -2.26719 -5.07461] (Cartesian), [-0.9999874 -0.99997492 -0.9999896 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.470347957661781,0.41446117821945133,0.9628162217675863,102.67160495343364,0.2584891141937815,0.8960704730151932,0.8407625140444885,0.8804061421972471,0.5137332783444086,0.17442075192897488,0.9256005724926073,0.3249175081650426,0.3220510770507472,0.48112249973363497 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.45421736e-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=5.470347957661781,0.41446117821945133,0.9628162217675863,102.67160495343364,0.2584891141937815,0.8960704730151932,0.8407625140444885,0.8804061421972471,0.5137332783444086,0.17442075192897488,0.9256005724926073,0.3249175081650426,0.3220510770507472,0.48112249973363497 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044351146342700735 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.232,0.43021789,1.0386277,77.331,0.1040247,0.25847892,0.11950134,0.84078807,0.82555719,0.51369657,0.67511102,0.92563236,0.51896366,0.32202706 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.36109 -2.25089 -5.04115] (Cartesian), [-0.99999777 -0.99998205 -0.9999993 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.434111217997925,0.4142223653743651,0.9628072569481798,102.66897002398804,0.258481146708881,0.8959760076093626,0.84079029815023,0.8804993662321157,0.5136987983348735,0.17444351348261122,0.9256345884965538,0.3248896862565691,0.32202929017312876,0.4810370400976751 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.36671557e-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=5.434111217997925,0.4142223653743651,0.9628072569481798,102.66897002398804,0.258481146708881,0.8959760076093626,0.84079029815023,0.8804993662321157,0.5136987983348735,0.17444351348261122,0.9256345884965538,0.3248896862565691,0.32202929017312876,0.4810370400976751 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004434527225161432 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.1963,0.43003676,1.0386429,77.3369,0.1041195,0.2584689,0.11938443,0.84080563,0.82553734,0.51369319,0.67513218,0.92568332,0.51904284,0.32201742 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.35494e-06 -2.23459e+00 -1.54150e-05] (Cartesian), [-1.59524054e-06 -9.99977845e-01 -3.05563845e-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=5.397081266804255,0.4140459257251167,0.9627896735632472,102.66305953051781,0.2584673062393317,0.8958774429485983,0.8408040343316567,0.8806125144075225,0.5136915995278493,0.17445960368901492,0.9256817274445215,0.32486476098294315,0.32201582346853064,0.48095410320572674 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.56428664e-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=5.397081266804255,0.4140459257251167,0.9627896735632472,102.66305953051781,0.2584673062393317,0.8958774429485983,0.8408040343316567,0.8806125144075225,0.5136915995278493,0.17445960368901492,0.9256817274445215,0.32486476098294315,0.32201582346853064,0.48095410320572674 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044339213383298845 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.1596,0.42995581,1.0387046,77.3457,0.1042276,0.25844055,0.1192626,0.84080303,0.82552648,0.51371216,0.67515628,0.9257498,0.51911186,0.32201366 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.05697e+00 -6.83914e-06 -5.05017e+00] (Cartesian), [-9.37333336e-07 -3.08295364e-06 -9.99996996e-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=5.359288032040532,0.4139304749872388,0.9627416606889407,102.65430071571316,0.2584396088477745,0.8957754013383861,0.8408020904820748,0.8807404065133189,0.5137112259113481,0.1744765286991541,0.9257488663436584,0.32484672354259536,0.32201272589850904,0.4808911485284284 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.35055405e-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=5.359288032040532,0.4139304749872388,0.9627416606889407,102.65430071571316,0.2584396088477745,0.8957754013383861,0.8408020904820748,0.8807404065133189,0.5137112259113481,0.1744765286991541,0.9257488663436584,0.32484672354259536,0.32201272589850904,0.4808911485284284 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004433280699064722 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.122,0.42992971,1.0387934,77.3583,0.10435587,0.25839357,0.11914001,0.84078239,0.82552479,0.51375441,0.6751822,0.92583222,0.51916601,0.32201511 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.27137 -1.10105 -4.93673] (Cartesian), [-0.99999538 -0.49999624 -0.99998942] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.320713225299057,0.413876196913883,0.9626605839318148,102.64166140328808,0.7416110498165225,0.10436645460121374,0.15922222873229774,0.11915059216342794,0.48625021444444005,0.8255353721050698,0.07417240065482877,0.6751927834440123,0.6779895156562596,0.5191765987328543 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.59884706e-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=5.320713225299057,0.413876196913883,0.9626605839318148,102.64166140328808,0.7416110498165225,0.10436645460121374,0.15922222873229774,0.11915059216342794,0.48625021444444005,0.8255353721050698,0.07417240065482877,0.6751927834440123,0.6779895156562596,0.5191765987328543 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004432690336922796 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.0836,0.42999056,1.0388898,77.376,0.10449844,0.25833596,0.11901724,0.84074595,0.82553283,0.51381801,0.67520802,0.9259233,0.5192037,0.32201787 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.28075e+00 -1.05351e-05 7.52839e-02] (Cartesian), [-9.99990408e-01 -4.81966378e-06 -6.68541895e-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=5.281338006989178,0.41388335070886584,0.9625519790130144,102.62400785102776,0.2583455532458525,0.8955008885653082,0.8407555427000188,0.8809820962255679,0.5138276055650985,0.1744664989059035,0.9259328924166121,0.3247913092046786,0.32202745828519386,0.4807956310600825 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 6.23505303e-19] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.281338006989178,0.41388335070886584,0.9625519790130144,102.62400785102776,0.2583455532458525,0.8955008885653082,0.8407555427000188,0.8809820962255679,0.5138276055650985,0.1744664989059035,0.9259328924166121,0.3247913092046786,0.32202745828519386,0.4807956310600825 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004432198532540628 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.0443,0.43010923,1.0390143,77.3986,0.10464697,0.25826659,0.11888932,0.84068669,0.82555062,0.51390092,0.67523617,0.92602497,0.51922494,0.32202243 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.24058 -1.08481 0.0736042] (Cartesian), [-9.99998557e-01 -5.00010327e-01 -1.91438107e-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=5.241106532214389,0.41395365226582165,0.9624413790663936,102.60141360454585,0.7417348497511744,0.10464505151434023,0.15931475389959848,0.11888740559712452,0.48610051837984214,0.8255487015482208,0.0739764720092484,0.6752342540104448,0.6779790155030527,0.5192230230113717 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 8.34886695e-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=5.241106532214389,0.41395365226582165,0.9624413790663936,102.60141360454585,0.7417348497511744,0.10464505151434023,0.15931475389959848,0.11888740559712452,0.48610051837984214,0.8255487015482208,0.0739764720092484,0.6752342540104448,0.6779790155030527,0.5192230230113717 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044317972708018665 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.0042,0.43029855,1.0391271,77.4242,0.10479435,0.25818787,0.1187591,0.84060792,0.82557714,0.51400733,0.67526599,0.92613143,0.51924053,0.32203275 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.37845e-06 -1.19867e-05 -5.71510e-06] (Cartesian), [-6.88739930e-07 -5.56678906e-06 -1.17675092e-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=5.199994143459854,0.4140874003954988,0.9623446116368176,102.57583261059533,0.2581871837827463,0.8952044696204406,0.8406072308978982,0.8812397248882999,0.5140066443235876,0.17442168034724648,0.9261307374323164,0.3247328332463941,0.3220320634264966,0.4807582908940624 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 9.32978982e-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=5.199994143459854,0.4140874003954988,0.9623446116368176,102.57583261059533,0.2581871837827463,0.8952044696204406,0.8406072308978982,0.8812397248882999,0.5140066443235876,0.17442168034724648,0.9261307374323164,0.3247328332463941,0.3220320634264966,0.4807582908940624 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431488358785313 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.9634,0.43053149,1.0392271,77.452,0.10493639,0.25810051,0.11863114,0.84051124,0.82561114,0.51413786,0.67529707,0.92624032,0.51925475,0.3220485 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.46345e-05 -6.04394e-06 -7.26178e-06] (Cartesian), [-3.13974487e-06 -2.82840020e-06 -1.53968755e-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=5.158060328772628,0.414278950904321,0.9622583155257732,102.54799450250226,0.25809737347265127,0.8950620665572582,0.8405080996927556,0.8813673215908531,0.5141347181760503,0.17438732177996363,0.9262371781745391,0.3247013937361216,0.32204536089559666,0.48074370833861635 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 9.14762746e-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=5.158060328772628,0.414278950904321,0.9622583155257732,102.54799450250226,0.25809737347265127,0.8950620665572582,0.8405080996927556,0.8813673215908531,0.5141347181760503,0.17438732177996363,0.9262371781745391,0.3247013937361216,0.32204536089559666,0.48074370833861635 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431256041327875 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.922,0.43078017,1.039293,77.4811,0.10506931,0.2580075,0.11850608,0.84040405,0.82564981,0.51428576,0.6753287,0.92634853,0.51927088,0.32206738 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.11202 -1.06014 -4.75072] (Cartesian), [-0.99999151 -0.4999841 -0.99999731] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.115435831412356,0.41449986191065813,0.9621881923047649,102.51893695783025,0.742000991189484,0.10507200261166205,0.1596044328086439,0.11850877631007073,0.4857227252455596,0.8256525065367895,0.07365995977604411,0.6753313979424505,0.6779411071451495,0.5192735713698564 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -5.75378603e-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=5.115435831412356,0.41449986191065813,0.9621881923047649,102.51893695783025,0.742000991189484,0.10507200261166205,0.1596044328086439,0.11850877631007073,0.4857227252455596,0.8256525065367895,0.07365995977604411,0.6753313979424505,0.6779411071451495,0.5192735713698564 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431072930061517 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.8801,0.43105674,1.0393639,77.5109,0.10519291,0.25791011,0.11837845,0.840289,0.82569158,0.51444887,0.67536284,0.92645596,0.51929134,0.32208694 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.07859 -1.05179 -4.71188] (Cartesian), [-0.99999678 -0.4999903 -0.99999624] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.072206470228588,0.414734853924994,0.9621285221140258,102.48906946823668,0.7420931138345026,0.10519666937086836,0.1597142220896648,0.118382208662414,0.4855543488178333,0.8256953412336219,0.07354725826428998,0.6753666060989654,0.6779162809604811,0.5192951078151742 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -6.44967545e-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=5.072206470228588,0.414734853924994,0.9621285221140258,102.48906946823668,0.7420931138345026,0.10519666937086836,0.1597142220896648,0.118382208662414,0.4855543488178333,0.8256953412336219,0.07354725826428998,0.6753666060989654,0.6779162809604811,0.5192951078151742 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430935719935094 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.8377,0.43134134,1.0394196,77.5415,0.10530721,0.25780851,0.11824784,0.84016627,0.82573629,0.51462689,0.67539996,0.92656326,0.5193153,0.32210679 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.04468 -2.0867 -4.67257] (Cartesian), [-0.99999784 -0.99999849 -0.99999708] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.028408046801837,0.4149828597011759,0.9620772601275824,102.45854138225397,0.2578106633014885,0.8946957127853719,0.8401684304618695,0.8817550818166189,0.5146290493962531,0.17426663748940863,0.9265654155337679,0.32460296840654257,0.32210894114675725,0.4806876259079369 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 6.79737578e-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=5.028408046801837,0.4149828597011759,0.9620772601275824,102.45854138225397,0.2578106633014885,0.8946957127853719,0.8401684304618695,0.8817550818166189,0.5146290493962531,0.17426663748940863,0.9265654155337679,0.32460296840654257,0.32210894114675725,0.4806876259079369 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430845254468021 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.7949,0.43162527,1.0394586,77.5726,0.10541191,0.25770326,0.11811492,0.84003664,0.82578327,0.51481895,0.67544003,0.92667021,0.51934188,0.32212683 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.70912e-06 -4.36888e-07 -1.79728e-05] (Cartesian), [-2.30046670e-06 -2.11097974e-07 -3.85853514e-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=4.984078378835612,0.4152419168126768,0.9620337914108759,102.42742973731207,0.25770095790877323,0.8945842334596614,0.8400343400337966,0.8818812199084194,0.5148166536416099,0.17421287368361527,0.9266679078551483,0.32455611386591166,0.32212453070713654,0.4806542583014848 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 8.82721242e-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=4.984078378835612,0.4152419168126768,0.9620337914108759,102.42742973731207,0.25770095790877323,0.8945842334596614,0.8400343400337966,0.8818812199084194,0.5148166536416099,0.17421287368361527,0.9266679078551483,0.32455611386591166,0.32212453070713654,0.4806542583014848 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430798496930463 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.7516,0.43191767,1.0395025,77.6042,0.10550696,0.25759521,0.11797976,0.83990097,0.825832,0.51502379,0.67548291,0.92677572,0.51937119,0.32214694 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.53051e-05 -2.05230e+00 -1.69694e-05] (Cartesian), [-3.81987557e-06 -9.99995516e-01 -3.69654152e-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=4.939257801520997,0.41550963415611564,0.961997344445296,102.39576925077665,0.2575913943939909,0.8944893440803088,0.8398971470375156,0.8820165397832289,0.5150199676800331,0.17416430048659137,0.9267718990665015,0.32451339074833685,0.3221431249934512,0.48062511144702924 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 3.98177037e-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=4.939257801520997,0.41550963415611564,0.961997344445296,102.39576925077665,0.2575913943939909,0.8944893440803088,0.8398971470375156,0.8820165397832289,0.5150199676800331,0.17416430048659137,0.9267718990665015,0.32451339074833685,0.3221431249934512,0.48062511144702924 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430785678643208 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.7079,0.43220969,1.0395293,77.6364,0.10559285,0.25748559,0.11784131,0.83976002,0.82588237,0.51523986,0.67552864,0.92687807,0.51940484,0.32216663 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.88893e-06 -1.01739e+00 -1.44989e-05] (Cartesian), [-1.61555415e-06 -4.99985433e-01 -3.16528530e-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=4.893985055113995,0.4157837139428398,0.9619686231537484,102.36361136574804,0.7425127941193881,0.10558968528657164,0.16023836130168934,0.11783814152419803,0.48475852633795324,0.8258792018254077,0.07312031643033601,0.6755254785321516,0.6778317529405609,0.5194016756156445 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.16246995e-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=4.893985055113995,0.4157837139428398,0.9619686231537484,102.36361136574804,0.7425127941193881,0.10558968528657164,0.16023836130168934,0.11783814152419803,0.48475852633795324,0.8258792018254077,0.07312031643033601,0.6755254785321516,0.6778317529405609,0.5194016756156445 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430796012949336 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.6638,0.43252284,1.03956,77.6689,0.10567039,0.25737519,0.11769829,0.8396143,0.82593426,0.51546623,0.67557737,0.9269768,0.51944481,0.32218594 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 9.42949e-01 -1.80682e-06 -4.56748e+00] (Cartesian), [-4.23289638e-07 -8.95710120e-07 -9.99997904e-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=4.848298478043498,0.41606200670886767,0.9619477424683484,102.33114288866064,0.2573747630416774,0.8943317064274039,0.8396138753825129,0.8823038048413221,0.5154658021755834,0.1740678380076346,0.9269763719938993,0.32442472151819457,0.32218551880604984,0.48055728418737953 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.65486982e-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=4.848298478043498,0.41606200670886767,0.9619477424683484,102.33114288866064,0.2573747630416774,0.8943317064274039,0.8396138753825129,0.8823038048413221,0.5154658021755834,0.1740678380076346,0.9269763719938993,0.32442472151819457,0.32218551880604984,0.48055728418737953 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430826221639259 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.6194,0.43282677,1.0395722,77.7016,0.10574001,0.25726442,0.11754983,0.83946485,0.82598741,0.5157025,0.67562899,0.92707199,0.51949291,0.32220462 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.86919 -0.999706 -4.46978 ] (Cartesian), [-0.99998827 -0.50000929 -0.9999922 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.8022440783403635,0.4163417844025229,0.9619302237612388,102.29842457115755,0.7427473103809548,0.10574781498182162,0.16054687852241,0.1175576304258481,0.48430922745119576,0.8259952121359873,0.0729397376198535,0.6756367946996411,0.6778071098255074,0.5195007071450664 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 4.67499005e-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=4.8022440783403635,0.4163417844025229,0.9619302237612388,102.29842457115755,0.7427473103809548,0.10574781498182162,0.16054687852241,0.1175576304258481,0.48430922745119576,0.8259952121359873,0.0729397376198535,0.6756367946996411,0.6778071098255074,0.5195007071450664 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430875936828227 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.5747,0.4331213,1.0396092,77.7344,0.10580167,0.25715263,0.11739582,0.83931171,0.8260425,0.51594899,0.67568376,0.92716547,0.51954759,0.32222201 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 9.22383e-01 -2.59197e-06 -4.48073e+00] (Cartesian), [-1.04383619e-06 -1.30815764e-06 -9.99989748e-01] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.755867414730116,0.4166200338357786,0.9619132198130778,102.26559408160348,0.25715158930232884,0.8942085824524888,0.8393106683474114,0.8826144295837444,0.515947951001821,0.1739677525213279,0.9271644235718701,0.32432649533430324,0.3222209689419613,0.48046266496903445 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.30081393e-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=4.755867414730116,0.4166200338357786,0.9619132198130778,102.26559408160348,0.25715158930232884,0.8942085824524888,0.8393106683474114,0.8826144295837444,0.515947951001821,0.1739677525213279,0.9271644235718701,0.32432649533430324,0.3222209689419613,0.48046266496903445 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044309529907616135 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.5298,0.43339662,1.0396044,77.7673,0.10585513,0.2570398,0.11723643,0.83915508,0.82609854,0.51620563,0.67574187,0.92725909,0.51960657,0.32223742 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.88220e-06 -1.96319e+00 -1.09014e-05] (Cartesian), [-7.63401714e-08 -9.99973894e-01 -2.45780457e-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=4.709201824038754,0.4168946939679002,0.9618972897072199,102.23270731501006,0.25703972805869757,0.8941424136963354,0.8391549996897241,0.8827611079651239,0.5162055580574691,0.17389900635617028,0.9272590095016651,0.3242556709077715,0.32223734851219454,0.4803909678508895 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.22032434e-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=4.709201824038754,0.4168946939679002,0.9618972897072199,102.23270731501006,0.25703972805869757,0.8941424136963354,0.8391549996897241,0.8827611079651239,0.5162055580574691,0.17389900635617028,0.9272590095016651,0.3242556709077715,0.32223734851219454,0.4803909678508895 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00443107719696917 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.4845,0.43369383,1.0396477,77.8008,0.10589904,0.25692723,0.11707367,0.8389967,0.82615348,0.51647082,0.6758027,0.92735072,0.51966847,0.32225214 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.901675 -1.94489 -4.39291 ] (Cartesian), [-6.30901383e-07 -9.99973374e-01 -9.99991175e-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=4.662283494319976,0.41716506249806584,0.9618748086723028,102.19923121969417,0.2569265984016178,0.894109789422656,0.8389960666202803,0.8829351602268027,0.5164701887691809,0.17385534174237027,0.9273500873070435,0.32420612731506737,0.3222515115068958,0.48034035577816603 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 7.80618919e-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=4.662283494319976,0.41716506249806584,0.9618748086723028,102.19923121969417,0.2569265984016178,0.894109789422656,0.8389960666202803,0.8829351602268027,0.5164701887691809,0.17385534174237027,0.9273500873070435,0.32420612731506737,0.3222515115068958,0.48034035577816603 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431293616451482 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.439,0.43399414,1.0396711,77.8353,0.10592997,0.25681668,0.11690608,0.8388379,0.82620837,0.51674063,0.67586383,0.92743758,0.5197362,0.32226517 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.72361 -1.9265 -4.30168] (Cartesian), [-0.9999872 -0.99999414 -0.99998922] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.615142829938299,0.4174326492412915,0.9618409972287393,102.16473193862417,0.2568294808817113,0.8940808094289951,0.83885070945112,0.8831046940294391,0.5167534298958019,0.17380240293858273,0.9274503866197517,0.32414694880516226,0.3222779786841341,0.4802745737528602 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.45097827e-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=4.615142829938299,0.4174326492412915,0.9618409972287393,102.16473193862417,0.2568294808817113,0.8940808094289951,0.83885070945112,0.8831046940294391,0.5167534298958019,0.17380240293858273,0.9274503866197517,0.32414694880516226,0.3222779786841341,0.4802745737528602 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430432553795933 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.3933,0.43429768,1.0397196,77.8702,0.10594422,0.25671034,0.11673698,0.83868208,0.82626385,0.5170078,0.67592468,0.92751914,0.51981015,0.32227715 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.56757e+00 -6.10646e-06 4.50187e-02] (Cartesian), [-9.99995650e-01 -3.20049171e-06 -2.27109069e-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=4.567811928844186,0.417700115819312,0.9617932980910624,102.12981056038898,0.25671468624394844,0.8940555520543594,0.838686433145168,0.8832627946071812,0.5170121531390637,0.17373592325474485,0.9275234858765748,0.32407509140821444,0.32228150352170704,0.4801896278262403 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.53887108e-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=4.567811928844186,0.417700115819312,0.9617932980910624,102.12981056038898,0.25671468624394844,0.8940555520543594,0.838686433145168,0.8832627946071812,0.5170121531390637,0.17373592325474485,0.9275234858765748,0.32407509140821444,0.32228150352170704,0.4801896278262403 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004428318278748164 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.3473,0.43461459,1.0397948,77.905,0.10594293,0.2566091,0.11657188,0.83853317,0.82632007,0.51726989,0.67598319,0.92759897,0.51988908,0.32229057 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.52009e+00 -1.03887e-05 4.31407e-02] (Cartesian), [-9.99995252e-01 -5.49853311e-06 -8.01131018e-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=4.520318059622289,0.41797024618380685,0.9617214253885045,102.09504887063113,0.256613845536213,0.8940562655164226,0.8385379136519808,0.8834273159579464,0.5172746400143291,0.1736791303393137,0.9276037200491536,0.32401600685073983,0.32229532004961836,0.48011011893777855 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.42882818e-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=4.520318059622289,0.41797024618380685,0.9617214253885045,102.09504887063113,0.256613845536213,0.8940562655164226,0.8385379136519808,0.8834273159579464,0.5172746400143291,0.1736791303393137,0.9276037200491536,0.32401600685073983,0.32229532004961836,0.48011011893777855 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004426330821140763 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.301,0.43494536,1.0399209,77.9411,0.10592634,0.25650819,0.11641418,0.83839174,0.82637555,0.51753025,0.67603666,0.92768153,0.51997076,0.3223042 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.73160e-06 -5.23701e-06 -1.30984e-05] (Cartesian), [-1.43452490e-06 -2.79952353e-06 -3.12222045e-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=4.472688823301626,0.41824484537731615,0.9616061551413048,102.05893449450133,0.25650675860306293,0.8940705397985997,0.8383903073306835,0.8835826959573354,0.5175288191152831,0.17362132442013145,0.9276800980071822,0.323960222429049,0.3223027641431724,0.48002611642860415 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.26111173e-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=4.472688823301626,0.41824484537731615,0.9616061551413048,102.05893449450133,0.25650675860306293,0.8940705397985997,0.8383903073306835,0.8835826959573354,0.5175288191152831,0.17362132442013145,0.9276800980071822,0.323960222429049,0.3223027641431724,0.48002611642860415 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004424488309706053 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.2543,0.43532426,1.0401006,77.9796,0.10589434,0.25640502,0.11626956,0.8382574,0.82643022,0.51778833,0.67608268,0.92777066,0.52004886,0.32232076 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 8.49084e-01 -1.20969e-05 -4.16870e+00] (Cartesian), [-2.17692607e-07 -6.53197412e-06 -9.99995785e-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=4.424890401306903,0.4185305044100869,0.9614499092575535,102.02039783629208,0.25640480414808153,0.8941098704335044,0.8382571868531277,0.8837346560390449,0.5177881075546464,0.1735739920925612,0.927770442043979,0.32392153179854866,0.3223205433575831,0.479955359710424 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.44557311e-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=4.424890401306903,0.4185305044100869,0.9614499092575535,102.02039783629208,0.25640480414808153,0.8941098704335044,0.8382571868531277,0.8837346560390449,0.5177881075546464,0.1735739920925612,0.927770442043979,0.32392153179854866,0.3223205433575831,0.479955359710424 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00442282673506966 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.2073,0.43571887,1.0403109,78.0211,0.10584417,0.25629839,0.1161466,0.83813116,0.82648422,0.51804408,0.67611884,0.92786807,0.52011953,0.32234281 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.48120e-06 -1.83320e+00 -1.75156e-05] (Cartesian), [-2.75626610e-06 -9.99993754e-01 -4.27318574e-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=4.376876566124481,0.41884010727261006,0.9612456255810142,101.97892988294548,0.2562956306300941,0.8941515533901461,0.8381284018614856,0.8838491317414698,0.5180413241994204,0.17351150259935832,0.9278653111619599,0.32387688556133964,0.3223400586542997,0.4798761993862577 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.19768532e-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=4.376876566124481,0.41884010727261006,0.9612456255810142,101.97892988294548,0.2562956306300941,0.8941515533901461,0.8381284018614856,0.8838491317414698,0.5180413241994204,0.17351150259935832,0.9278653111619599,0.32387688556133964,0.3223400586542997,0.4798761993862577 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004421386936462142 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.1597,0.43620934,1.0406039,78.0659,0.10577176,0.25618727,0.1160528,0.83801381,0.8265374,0.51829825,0.67614381,0.92797575,0.52017928,0.32237272 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 0.827346 -0.907251 -4.07659 ] (Cartesian), [ 3.58481021e-07 -5.00001947e-01 -9.99998937e-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=4.32859468782742,0.41918799631071885,0.9609821193887091,101.93405526485263,0.7438130865225392,0.10577281835971863,0.16198655167675335,0.11605386233536397,0.48170210370165956,0.8265384584006901,0.07202460573677283,0.6761448701741599,0.677627640534916,0.5201803440880146 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.37734706e-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=4.32859468782742,0.41918799631071885,0.9609821193887091,101.93405526485263,0.7438130865225392,0.10577281835971863,0.16198655167675335,0.11605386233536397,0.48170210370165956,0.8265384584006901,0.07202460573677283,0.6761448701741599,0.677627640534916,0.5201803440880146 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004420212077900559 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.1116,0.43676428,1.0409573,78.1147,0.10567268,0.25607052,0.11599558,0.83790693,0.82658932,0.51855114,0.67615623,0.92809588,0.52022509,0.32241252 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.27987 -0.897897 0.0325055] (Cartesian), [-9.99998139e-01 -4.99995018e-01 -9.24067757e-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=4.280002183108664,0.4195820039527164,0.960648526292268,101.88528094198226,0.7439313376716372,0.10567175436349974,0.1620949315645115,0.11599465562157985,0.48145072192273464,0.826588393008064,0.07190598081302424,0.6761553108710654,0.6775893411313696,0.5202241669473309 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.95956458e-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=4.280002183108664,0.4195820039527164,0.960648526292268,101.88528094198226,0.7439313376716372,0.10567175436349974,0.1620949315645115,0.11599465562157985,0.48145072192273464,0.826588393008064,0.07190598081302424,0.6761553108710654,0.6775893411313696,0.5202241669473309 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004419353753092421 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.0628,0.43743231,1.0414246,78.1681,0.10554049,0.25594673,0.11598433,0.8378122,0.82663954,0.51880374,0.67615484,0.92823058,0.52025344,0.32246489 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.87446e-05 -8.88607e-01 -1.19245e-05] (Cartesian), [-5.00714955e-06 -5.00011394e-01 -3.03209282e-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=4.231050207199983,0.42003129577102755,0.960229226353576,101.83191151251623,0.7440482609232144,0.10553745717391827,0.16218279199753916,0.11598129758159414,0.481191248029218,0.8266365044971673,0.07176441312528659,0.6761518121877654,0.6775301060822203,0.5202504122498448 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.16753189e-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=4.231050207199983,0.42003129577102755,0.960229226353576,101.83191151251623,0.7440482609232144,0.10553745717391827,0.16218279199753916,0.11598129758159414,0.481191248029218,0.8266365044971673,0.07176441312528659,0.6761518121877654,0.6775301060822203,0.5202504122498448 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004418876736062382 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.0132,0.43820393,1.0419864,78.227,0.1053664,0.25581416,0.11603079,0.83773169,0.82668728,0.51905764,0.67613853,0.92838225,0.52026044,0.32253298 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.83419e-06 -2.43048e-06 -8.99021e-06] (Cartesian), [-1.83111116e-06 -1.38206154e-06 -2.29793385e-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=4.181684662033457,0.4205458881015891,0.9597034662219525,101.77302946287874,0.2558123324623387,0.8946313010392184,0.8377298559795456,0.8839669117045794,0.5190558112537251,0.17331042331963165,0.9283804148749386,0.32385917510633844,0.3225311446490893,0.4797372575649037 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.30430821e-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=4.181684662033457,0.4205458881015891,0.9597034662219525,101.77302946287874,0.2558123324623387,0.8946313010392184,0.8377298559795456,0.8839669117045794,0.5190558112537251,0.17331042331963165,0.9283804148749386,0.32385917510633844,0.3225311446490893,0.4797372575649037 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044188660772345465 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.9626,0.43913087,1.0426992,78.2927,0.10513832,0.25566986,0.11615053,0.83766747,0.82673149,0.51931565,0.67610655,0.92855396,0.5202412,0.3226211 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.35044 -0.870056 -3.86056 ] (Cartesian), [-0.99998687 -0.50001014 -0.99999325] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.13184040217618,0.421138411747709,0.9590434935436601,101.70731077876907,0.7443432679257798,0.10514507943164308,0.16234565357380082,0.11615728180704732,0.4806974782618929,0.8267382438174962,0.07145916407696373,0.6761133053471644,0.6773920301344067,0.5202479506818503 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.81684687e-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=4.13184040217618,0.421138411747709,0.9590434935436601,101.70731077876907,0.7443432679257798,0.10514507943164308,0.16234565357380082,0.11615728180704732,0.4806974782618929,0.8267382438174962,0.07145916407696373,0.6761133053471644,0.6773920301344067,0.5202479506818503 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004419435018555238 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.9109,0.44023115,1.0435961,78.3675,0.10483943,0.25550847,0.11636487,0.83762165,0.82677138,0.51958269,0.67605838,0.92874928,0.52019054,0.32273575 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.08133e+00 -1.10161e-05 2.09155e-02] (Cartesian), [-9.99986468e-01 -6.39854906e-06 -3.82732063e-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=4.081439124565422,0.42182570594132535,0.9582078964638564,101.63248463801078,0.25552200029008043,0.8951601909433502,0.837635181807753,0.8836347509204634,0.519596219029318,0.17322823258062914,0.9287628153825649,0.32394123427850663,0.32274928310128836,0.4798090804683064 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 5.6956605e-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=4.081439124565422,0.42182570594132535,0.9582078964638564,101.63248463801078,0.25552200029008043,0.8951601909433502,0.837635181807753,0.8836347509204634,0.519596219029318,0.17322823258062914,0.9287628153825649,0.32394123427850663,0.32274928310128836,0.4798090804683064 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044207365052215675 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.8577,0.44155844,1.0447676,78.4544,0.1044456,0.25531838,0.11670558,0.83759352,0.82680789,0.51986933,0.6759958,0.9289772,0.52009787,0.32288596 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.13056e-06 -8.98126e-06 -1.74904e-05] (Cartesian), [-3.13543030e-06 -5.27266024e-06 -4.63781603e-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=4.030375482552048,0.4226316074775812,0.9571452848908077,101.54564774027996,0.25531524413196505,0.8955497578961311,0.8375903871839487,0.8832897848838195,0.519866190973465,0.17318746827897424,0.928974068152685,0.3239995640922304,0.3228828223051545,0.47989748982055813 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.60362965e-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=4.030375482552048,0.4226316074775812,0.9571452848908077,101.54564774027996,0.25531524413196505,0.8955497578961311,0.8375903871839487,0.8832897848838195,0.519866190973465,0.17318746827897424,0.928974068152685,0.3239995640922304,0.3228828223051545,0.47989748982055813 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 0.004299068689428493 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9282,0.46101683,1.0712695,78.6574,0.11721603,0.26339923,0.10961204,0.82640361,0.83267648,0.52017799,0.68143321,0.92640068,0.5124476,0.32187059 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.18477 -1.36649 -5.8124 ] (Cartesian), [-0.99999926 -0.49998988 -0.99999202] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.350699323658898,0.4303518687653985,0.9334771440204909,101.34258274570789,0.7366015140321114,0.11722401092711388,0.17359712925577053,0.10962002561281636,0.4798227527305612,0.8326844590024396,0.07360006599948998,0.6814411876630602,0.6781301524861485,0.5124555810889122 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -9.80157934e-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=6.350699323658898,0.4303518687653985,0.9334771440204909,101.34258274570789,0.7366015140321114,0.11722401092711388,0.17359712925577053,0.10962002561281636,0.4798227527305612,0.8326844590024396,0.07360006599948998,0.6814411876630602,0.6781301524861485,0.5124555810889122 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042963519491629075 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9371,0.46052787,1.0707248,78.633,0.11720946,0.26347561,0.109336,0.82625835,0.83274882,0.52028979,0.68160425,0.92640748,0.51255651,0.32179577 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.35699e+00 -1.36710e+00 1.66921e-03] (Cartesian), [-9.99993412e-01 -5.00001879e-01 -2.06023741e-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=6.357032338247933,0.4301047372697893,0.9339385682091044,101.36699658384258,0.7365309810728538,0.11720925310793406,0.17374823648376614,0.10933579342123934,0.47971679920805577,0.8327486149667482,0.07359910911346423,0.6816040452729131,0.6782108222361192,0.5125563074072352 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.48883292e-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=6.357032338247933,0.4301047372697893,0.9339385682091044,101.36699658384258,0.7365309810728538,0.11720925310793406,0.17374823648376614,0.10933579342123934,0.47971679920805577,0.8327486149667482,0.07359910911346423,0.6816040452729131,0.6782108222361192,0.5125563074072352 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00429359495822271 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9459,0.4600481,1.0702333,78.6096,0.11720893,0.2635542,0.10905985,0.82611041,0.83282204,0.52040165,0.6817755,0.92641142,0.51266103,0.32172059 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.17126 -1.3677 -5.82938] (Cartesian), [-1.38471438e-06 -5.00001072e-01 -9.99990470e-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=6.363463847842158,0.4298593028034819,0.9343875059214106,101.39043429598999,0.7364444133793979,0.11721845944815934,0.17388821017582812,0.10906937618303769,0.4795969668831179,0.8328315671764694,0.07358719033985062,0.681785028224374,0.6782780227904608,0.5126705599359878 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 1.3129117e-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=6.363463847842158,0.4298593028034819,0.9343875059214106,101.39043429598999,0.7364444133793979,0.11721845944815934,0.17388821017582812,0.10906937618303769,0.4795969668831179,0.8328315671764694,0.07358719033985062,0.681785028224374,0.6782780227904608,0.5126705599359878 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004290796835390566 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9548,0.45957883,1.0697253,78.5871,0.1172146,0.26363504,0.1087837,0.82595938,0.83289606,0.52051391,0.68194687,0.92641243,0.51276116,0.32164512 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.19610e+00 -1.21569e-05 -5.83311e+00] (Cartesian), [-9.99999529e-01 -4.44225379e-06 -9.99996799e-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=6.370003272223511,0.42961538199751775,0.9348218970713278,101.41294910209753,0.2636355117219371,0.8827886013594286,0.825959853856391,0.8912195061075618,0.5205143768589511,0.16710713969148006,0.926412902125975,0.3180563342978766,0.32164559331996156,0.48724204017649075 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.55474561e-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=6.370003272223511,0.42961538199751775,0.9348218970713278,101.41294910209753,0.2636355117219371,0.8827886013594286,0.825959853856391,0.8912195061075618,0.5205143768589511,0.16710713969148006,0.926412902125975,0.3180563342978766,0.32164559331996156,0.48724204017649075 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004287954988740009 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9637,0.45911095,1.0692355,78.5656,0.11722672,0.26371778,0.10850733,0.82580525,0.83297098,0.52062677,0.68211838,0.92641051,0.51285679,0.32156945 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.2001 -1.36901 -5.84017] (Cartesian), [-0.99998967 -0.50001038 -0.99999582] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.376648177445093,0.42937341021331116,0.9352427146050495,101.43439475776826,0.7362925430292888,0.11723089518344976,0.17420508023119075,0.10851150512133811,0.47938355890096807,0.8329751605777194,0.07359981771048685,0.6821225629100236,0.6784408805448681,0.512860969753377 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -3.6579804e-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=6.376648177445093,0.42937341021331116,0.9352427146050495,101.43439475776826,0.7362925430292888,0.11723089518344976,0.17420508023119075,0.10851150512133811,0.47938355890096807,0.8329751605777194,0.07359981771048685,0.6821225629100236,0.6784408805448681,0.512860969753377 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004285069631188543 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9726,0.45864448,1.0687808,78.545,0.11724494,0.26380276,0.10823098,0.82564779,0.83304674,0.52074042,0.68229007,0.92640536,0.51294805,0.32149358 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.20436 -1.36964 -5.8473 ] (Cartesian), [-0.9999972 -0.49999084 -0.99999324] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.383410727988026,0.4291326830544385,0.9356480878411079,101.45495705512967,0.736200046599677,0.11725170693978137,0.17435501276664356,0.10823774593121605,0.4792623824529303,0.8330535009552065,0.07359744313044914,0.6822968375306739,0.678509223880646,0.512954814744629 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -5.8790196e-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=6.383410727988026,0.4291326830544385,0.9356480878411079,101.45495705512967,0.736200046599677,0.11725170693978137,0.17435501276664356,0.10823774593121605,0.4792623824529303,0.8330535009552065,0.07359744313044914,0.6822968375306739,0.678509223880646,0.512954814744629 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004282138145439366 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9816,0.45820516,1.0683262,78.5254,0.11726929,0.26388954,0.10795432,0.8254869,0.83312338,0.52085522,0.68246207,0.9263971,0.51303499,0.32141758 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.95359e-06 -1.17348e-05 -1.23382e-05] (Cartesian), [-6.94969840e-07 -4.28159699e-06 -2.10524624e-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=6.3902889326204155,0.42889344674838153,0.936039725496517,101.47455668187379,0.26388884033614923,0.8827286019903393,0.8254862010700488,0.8920435775886377,0.5208545205066057,0.16687451675581078,0.926396404391522,0.317535825992872,0.3214168809196092,0.4869629041201682 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.58595656e-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=6.3902889326204155,0.42889344674838153,0.936039725496517,101.47455668187379,0.26388884033614923,0.8827286019903393,0.8254862010700488,0.8920435775886377,0.5208545205066057,0.16687451675581078,0.926396404391522,0.317535825992872,0.3214168809196092,0.4869629041201682 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042791584032425 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9905,0.45775812,1.0679075,78.5068,0.11729963,0.26397804,0.10767713,0.82532247,0.8332009,0.5209714,0.68263448,0.92638563,0.51311776,0.32134144 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.18403 -2.74219 -5.87231] (Cartesian), [-1.05546865e-07 -9.99984809e-01 -9.99992370e-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=6.397287077035505,0.4286554010113358,0.9364179241046575,101.49317489071859,0.26397793302723027,0.8827080018875546,0.825322365554698,0.892330499470551,0.520971292589496,0.1668067342032602,0.9263855241838082,0.31737315002431377,0.3213413367039377,0.4868898680285674 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.41368048e-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=6.397287077035505,0.4286554010113358,0.9364179241046575,101.49317489071859,0.26397793302723027,0.8827080018875546,0.825322365554698,0.892330499470551,0.520971292589496,0.1668067342032602,0.9263855241838082,0.31737315002431377,0.3213413367039377,0.4868898680285674 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004276129138267981 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9995,0.45733811,1.067489,78.4891,0.11733528,0.26406782,0.10739962,0.82515407,0.83327931,0.52108966,0.68280768,0.92637111,0.51319643,0.32126522 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.2179 -1.37191 -5.8693 ] (Cartesian), [-0.9999978 -0.50000985 -0.99999011] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.404407630327543,0.4284183790540582,0.9367838220315147,101.5108584848683,0.7359343790713568,0.11734516844375031,0.1748481304161622,0.10740951062987114,0.47891254312066867,0.8332892061789194,0.07363108888324854,0.6828175735608708,0.6787369851647469,0.5132063197706129 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.32372014e-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=6.404407630327543,0.4284183790540582,0.9367838220315147,101.5108584848683,0.7359343790713568,0.11734516844375031,0.1748481304161622,0.10740951062987114,0.47891254312066867,0.8332892061789194,0.07363108888324854,0.6828175735608708,0.6787369851647469,0.5132063197706129 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004273046822009024 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0086,0.45691176,1.0670872,78.4723,0.11737691,0.26415909,0.1071205,0.82498208,0.83335861,0.52120975,0.68298138,0.92635332,0.51327152,0.32118888 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.18891e+00 -1.10411e-05 -5.88980e+00] (Cartesian), [-1.75695887e-06 -4.02173731e-06 -9.99998515e-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=6.411653262928679,0.4281822057848108,0.9371388340473816,101.52765553041927,0.2641573374924784,0.8826245750784016,0.8249803227263497,0.8928809803329643,0.5212079926780886,0.16664287812571676,0.9263515642725366,0.31702010384212587,0.32118712615986134,0.48672996443404526 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.28589423e-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=6.411653262928679,0.4281822057848108,0.9371388340473816,101.52765553041927,0.2641573374924784,0.8826245750784016,0.8249803227263497,0.8928809803329643,0.5212079926780886,0.16664287812571676,0.9263515642725366,0.31702010384212587,0.32118712615986134,0.48672996443404526 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004269910040242557 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0177,0.4564867,1.0666866,78.4564,0.11742377,0.26425144,0.10684019,0.82480597,0.83343878,0.5213324,0.68315602,0.92633235,0.51334298,0.32111249 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.22765 -1.3735 -5.88454] (Cartesian), [-0.99999266 -0.49999977 -0.99999153] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.419028334446092,0.42794658576565553,0.9374834861013156,101.54356497761901,0.7357559015638562,0.11743224257088025,0.1752013675040578,0.10684865598729054,0.47867493917798987,0.83344724788522,0.07367498865537447,0.6831644915578035,0.6788948511463813,0.5133514489544464 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.56141164e-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=6.419028334446092,0.42794658576565553,0.9374834861013156,101.54356497761901,0.7357559015638562,0.11743224257088025,0.1752013675040578,0.10684865598729054,0.47867493917798987,0.83344724788522,0.07367498865537447,0.6831644915578035,0.6788948511463813,0.5133514489544464 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042667164900205504 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0269,0.45607194,1.0663027,78.4414,0.11747559,0.26434462,0.10655837,0.82462552,0.83351981,0.52145803,0.68333183,0.92630821,0.51341105,0.321036 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.23277 -1.37435 -5.89236] (Cartesian), [-0.99999227 -0.49999967 -0.99999423] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.426537218618046,0.4277111753571027,0.9378189132226884,101.55862245173425,0.7356631097418744,0.11748135107079438,0.17538220676013627,0.10656413480889748,0.47854969951799364,0.8335255779939863,0.07369951630348792,0.6833375915391899,0.6789717268062228,0.5134168157946859 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.77702174e-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=6.426537218618046,0.4277111753571027,0.9378189132226884,101.55862245173425,0.7356631097418744,0.11748135107079438,0.17538220676013627,0.10656413480889748,0.47854969951799364,0.8335255779939863,0.07369951630348792,0.6833375915391899,0.6789717268062228,0.5134168157946859 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004263463193303201 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0362,0.45566747,1.0659355,78.4272,0.11753232,0.26443841,0.10627457,0.82444053,0.83360167,0.52158704,0.68350893,0.92628094,0.51347593,0.32095942 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.19606 -1.37526 -5.91651] (Cartesian), [-8.59475969e-07 -5.00011429e-01 -9.99998445e-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=6.434184299892556,0.42747565222225753,0.9381461916152426,101.57284873528442,0.7355607344674899,0.11753387561866968,0.17555861044409848,0.10627612690154065,0.4784121050269088,0.8336032283218664,0.07371820330630108,0.6835104848789544,0.6790397231693961,0.5134774880123918 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 5.76052846e-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=6.434184299892556,0.42747565222225753,0.9381461916152426,101.57284873528442,0.7355607344674899,0.11753387561866968,0.17555861044409848,0.10627612690154065,0.4784121050269088,0.8336032283218664,0.07371820330630108,0.6835104848789544,0.6790397231693961,0.5134774880123918 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042601467871068565 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0456,0.45525672,1.0655683,78.4137,0.11759441,0.26453267,0.10598793,0.82425105,0.8336843,0.52171956,0.68368721,0.92625038,0.5135381,0.32088277 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.10553e-06 -1.37616e+00 -8.20528e-06] (Cartesian), [-1.67197807e-06 -5.00009452e-01 -1.38956392e-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=6.44197196818537,0.42723997903431304,0.9384668280274006,101.58625543889507,0.7354656566883333,0.1175930212866958,0.17574727359811515,0.10598654390967788,0.4782787654940117,0.8336829117466471,0.07374795151773617,0.6836858197138249,0.6791155549237917,0.5135367119561516 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.72861337e-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=6.44197196818537,0.42723997903431304,0.9384668280274006,101.58625543889507,0.7354656566883333,0.1175930212866958,0.17574727359811515,0.10598654390967788,0.4782787654940117,0.8336829117466471,0.07374795151773617,0.6836858197138249,0.6791155549237917,0.5135367119561516 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004256765821464071 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0551,0.45483972,1.0652012,78.4011,0.11766057,0.26462702,0.1056993,0.82405622,0.83376772,0.52185659,0.68386748,0.92621667,0.51359715,0.32080603 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.44987 -1.37704 0.0181263] (Cartesian), [-9.99997840e-01 -4.99990282e-01 -1.47568533e-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=6.449911200937935,0.4270033251741226,0.9387805037183845,101.59887038059445,0.7353751359448277,0.11765909202977953,0.1759459369311962,0.10569782883584677,0.47814557200985464,0.8337662407403732,0.07378548949205532,0.6838660051706942,0.6791961348464501,0.5135956742556358 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.99375315e-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=6.449911200937935,0.4270033251741226,0.9387805037183845,101.59887038059445,0.7353751359448277,0.11765909202977953,0.1759459369311962,0.10569782883584677,0.47814557200985464,0.8337662407403732,0.07378548949205532,0.6838660051706942,0.6791961348464501,0.5135956742556358 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004253316067001976 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0646,0.45445701,1.0648683,78.3893,0.11773132,0.26472129,0.10540772,0.82385602,0.83385182,0.52199834,0.68404966,0.92617972,0.51365352,0.32072915 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.25492e+00 -1.14578e-05 -5.92502e+00] (Cartesian), [-9.99997388e-01 -4.15732035e-06 -9.99990696e-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=6.4580060159064985,0.4267654976893229,0.9390886134797906,101.6106866480367,0.26472390329753304,0.8822779819185966,0.8238586340775755,0.8946015882921872,0.5220009504625778,0.166157482868178,0.9261823279862458,0.31595964323097925,0.32073176192294506,0.4863557860479615 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 6.30443935e-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=6.4580060159064985,0.4267654976893229,0.9390886134797906,101.6106866480367,0.26472390329753304,0.8822779819185966,0.8238586340775755,0.8946015882921872,0.5220009504625778,0.166157482868178,0.9261823279862458,0.31595964323097925,0.32073176192294506,0.4863557860479615 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004249794042546796 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0744,0.45403661,1.0645167,78.3783,0.1178067,0.26481514,0.10511276,0.8236501,0.83393653,0.52214535,0.68423396,0.9261395,0.51370733,0.32065214 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.27560e-05 -1.37899e+00 -1.74945e-05] (Cartesian), [-2.52203813e-06 -4.99990908e-01 -2.94692281e-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=6.466263122407536,0.426526124889653,0.9393919913409002,101.62169497759223,0.7351823399060304,0.11780375716520841,0.17634737538124323,0.10510981008143871,0.477852126010613,0.8339335879058551,0.07385797506936287,0.6842310116382708,0.6793453382176038,0.5137043804780612 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.33309846e-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=6.466263122407536,0.426526124889653,0.9393919913409002,101.62169497759223,0.7351823399060304,0.11780375716520841,0.17634737538124323,0.10510981008143871,0.477852126010613,0.8339335879058551,0.07385797506936287,0.6842310116382708,0.6793453382176038,0.5137043804780612 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004246196222543018 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0842,0.45365044,1.0641826,78.3681,0.11788692,0.26490827,0.10481381,0.82343812,0.83402178,0.52229808,0.68442047,0.92609603,0.51375869,0.32057505 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.20764 -1.38006 -5.96314] (Cartesian), [-3.32949709e-07 -5.00010435e-01 -9.99997483e-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=6.474689460387282,0.42628490731542784,0.9396915688524522,101.63190454434123,0.7350913961997141,0.11788944137624302,0.176561544683967,0.10481632708189847,0.4777015823732276,0.8340242977348331,0.07390363772167197,0.6844229879473196,0.6794246131634627,0.5137612037457582 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 6.16071929e-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=6.474689460387282,0.42628490731542784,0.9396915688524522,101.63190454434123,0.7350913961997141,0.11788944137624302,0.176561544683967,0.10481632708189847,0.4777015823732276,0.8340242977348331,0.07390363772167197,0.6844229879473196,0.6794246131634627,0.5137612037457582 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004242517525017167 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0942,0.45325063,1.0638476,78.3588,0.11797184,0.26500032,0.10451078,0.82321961,0.83410739,0.52245733,0.68460968,0.9260492,0.51380772,0.32049768 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.20992 -1.38111 -5.97288] (Cartesian), [ 3.78697106e-08 -5.00012654e-01 -9.99996241e-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=6.483296155290166,0.42604101839096736,0.9399874421883353,101.64124151416327,0.7349997149541179,0.11797559647466072,0.17678043193198345,0.10451454296736218,0.4775427111276618,0.8341111505855925,0.0739508370123576,0.6846134416897871,0.679502353895657,0.5138114779816987 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.70209853e-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=6.483296155290166,0.42604101839096736,0.9399874421883353,101.64124151416327,0.7349997149541179,0.11797559647466072,0.17678043193198345,0.10451454296736218,0.4775427111276618,0.8341111505855925,0.0739508370123576,0.6846134416897871,0.679502353895657,0.5138114779816987 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004238753452792427 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1044,0.4528373,1.0635116,78.3504,0.11806148,0.26509085,0.10420329,0.8229941,0.8341932,0.52262379,0.68480192,0.92599893,0.51385453,0.32041995 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.10476e-06 -1.38215e+00 -6.01278e-06] (Cartesian), [-5.12214000e-07 -5.00001198e-01 -1.00690804e-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=6.492093590379334,0.425793827064322,0.9402798822530614,101.64960579259271,0.7349086389532984,0.11806046889062771,0.17700538482655115,0.10420227887242306,0.477375693547615,0.8341921922231497,0.0740005566685813,0.6848009090150977,0.6795795363041606,0.5138535204840946 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.38642814e-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=6.492093590379334,0.425793827064322,0.9402798822530614,101.64960579259271,0.7349086389532984,0.11806046889062771,0.17700538482655115,0.10420227887242306,0.477375693547615,0.8341921922231497,0.0740005566685813,0.6848009090150977,0.6795795363041606,0.5138535204840946 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004234899146955506 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1147,0.4524343,1.063192,78.3428,0.11815749,0.26517943,0.10388934,0.82276147,0.83427909,0.52279775,0.68499653,0.92594535,0.5138995,0.3203422 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.21444 -1.38325 -5.99287] (Cartesian), [ 3.55670445e-07 -5.00000828e-01 -9.99991340e-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=6.501085722611619,0.4255435991689185,0.9405715187769681,101.65718586545852,0.7348209217616513,0.11816615001415776,0.17723888431135126,0.10389799501518326,0.4772026010186541,0.8342877507051831,0.07405500952278299,0.685005188295357,0.6796581548690674,0.5139081600519932 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -5.08079333e-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=6.501085722611619,0.4255435991689185,0.9405715187769681,101.65718586545852,0.7348209217616513,0.11816615001415776,0.17723888431135126,0.10389799501518326,0.4772026010186541,0.8342877507051831,0.07405500952278299,0.685005188295357,0.6796581548690674,0.5139081600519932 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004230949755249675 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1253,0.45202684,1.0628541,78.3364,0.11825898,0.26526526,0.10356966,0.82252077,0.83436461,0.52298058,0.68519463,0.92588827,0.51394238,0.32026403 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.28211e-06 -1.14645e-05 -8.80980e-06] (Cartesian), [-6.25258099e-07 -4.14067100e-06 -1.46995567e-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=6.510291723700771,0.4252887985184091,0.9408605782791303,101.66359548144737,0.26526463353729124,0.8817395544280706,0.8225201441716248,0.8964288676906644,0.522979956982268,0.16563391872185917,0.9258876432279965,0.31480389759069816,0.32026340684106613,0.48605614790457174 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.80471889e-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=6.510291723700771,0.4252887985184091,0.9408605782791303,101.66359548144737,0.26526463353729124,0.8817395544280706,0.8225201441716248,0.8964288676906644,0.522979956982268,0.16563391872185917,0.9258876432279965,0.31480389759069816,0.32026340684106613,0.48605614790457174 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004226896729963166 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.136,0.45161343,1.0625326,78.331,0.11836718,0.2653479,0.10324273,0.82227147,0.83444976,0.52317303,0.68539622,0.92582797,0.51398355,0.32018547 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.30074 -1.38556 -5.98969] (Cartesian), [-0.99999601 -0.50000886 -0.99999369] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.5197204832683555,0.42502909468396083,0.9411492709376258,101.66903078817408,0.7346560959685244,0.11837349287714272,0.17773252184783983,0.10324904106675836,0.47683096213939025,0.8344560695800411,0.07417602226369979,0.6854025362622123,0.6798185271059147,0.5139898582481797 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -7.28435756e-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=6.5197204832683555,0.42502909468396083,0.9411492709376258,101.66903078817408,0.7346560959685244,0.11837349287714272,0.17773252184783983,0.10324904106675836,0.47683096213939025,0.8344560695800411,0.07417602226369979,0.6854025362622123,0.6798185271059147,0.5139898582481797 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004222736061159431 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.147,0.45117944,1.0622092,78.3267,0.11848277,0.26542654,0.10290769,0.82201306,0.83453391,0.52337604,0.68560126,0.92576411,0.5140231,0.32010654 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.22113 -1.38669 -6.02448] (Cartesian), [-1.66114235e-07 -4.99988089e-01 -9.99997270e-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=6.529391851594166,0.4247633060552154,0.9414367706412695,101.67331982667785,0.7345732961962104,0.11848550344503139,0.17798677763418347,0.10291042083116819,0.47662378904005753,0.8345366449855927,0.07423571995056721,0.6856039945273886,0.6798932981540502,0.5140258281531422 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.84977838e-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=6.529391851594166,0.4247633060552154,0.9414367706412695,101.67331982667785,0.7345732961962104,0.11848550344503139,0.17798677763418347,0.10291042083116819,0.47662378904005753,0.8345366449855927,0.07423571995056721,0.6856039945273886,0.6798932981540502,0.5140258281531422 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042184589029563855 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1582,0.45076483,1.061885,78.3238,0.11860659,0.26549969,0.10256371,0.82174458,0.83461655,0.52359131,0.68581042,0.92569698,0.51406121,0.32002699 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.31593e+00 -5.07430e-06 -6.01055e+00] (Cartesian), [-9.99996045e-01 -1.82799710e-06 -9.99991955e-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=6.539318282548071,0.4244906822064531,0.9417243717003622,101.67618266569967,0.2655036406829796,0.881401457736481,0.8217485304937142,0.8974443351102255,0.5235952604215899,0.1653914989975256,0.9257009391707598,0.3141976273180389,0.3200309466622746,0.4859468307250181 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 7.68103446e-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=6.539318282548071,0.4244906822064531,0.9417243717003622,101.67618266569967,0.2655036406829796,0.881401457736481,0.8217485304937142,0.8974443351102255,0.5235952604215899,0.1653914989975256,0.9257009391707598,0.3141976273180389,0.3200309466622746,0.4859468307250181 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004214057187754061 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1697,0.45032984,1.0615589,78.3225,0.11873989,0.26556622,0.1022094,0.82146522,0.83469705,0.52382021,0.68602382,0.92562661,0.5140982,0.31994673 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.32396 -1.38921 -6.02153] (Cartesian), [-0.99999533 -0.50000871 -0.9999943 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.54952096839653,0.42420989248252255,0.9420123343749531,101.67754077147707,0.7344384529676629,0.11874558338221286,0.17853944526783927,0.1022150993237001,0.47618445794037756,0.8347027524393482,0.07437806004249614,0.6860295147494675,0.6800579361416501,0.5141038945592094 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -5.9713589e-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=6.54952096839653,0.42420989248252255,0.9420123343749531,101.67754077147707,0.7344384529676629,0.11874558338221286,0.17853944526783927,0.1022150993237001,0.47618445794037756,0.8347027524393482,0.07437806004249614,0.6860295147494675,0.6800579361416501,0.5141038945592094 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042095219284057316 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1815,0.44987463,1.0612311,78.3231,0.11888554,0.26562399,0.10184248,0.82117398,0.83477374,0.52406504,0.686241,0.92555309,0.51413497,0.31986554 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.33233 -1.39045 -6.03293] (Cartesian), [-0.99999071 -0.49999673 -0.9999989 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.560042657744149,0.42391769781464905,0.9422953722939426,101.67688834966312,0.7343852941708731,0.1188866397277315,0.17883531347971116,0.10184358343419042,0.4759442515097416,0.834774842764197,0.07445619884654686,0.6862420989053577,0.6801437474493628,0.5141360759304225 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.41634003e-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=6.560042657744149,0.42391769781464905,0.9422953722939426,101.67688834966312,0.7343852941708731,0.1188866397277315,0.17883531347971116,0.10184358343419042,0.4759442515097416,0.834774842764197,0.07445619884654686,0.6862420989053577,0.6801437474493628,0.5141360759304225 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00420484098342639 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1936,0.44941553,1.0609177,78.3259,0.11904468,0.26567078,0.10146153,0.82086983,0.83484615,0.524328,0.68646278,0.92547702,0.51417159,0.31978326 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.80874e-06 -2.78349e+00 -5.86115e-06] (Cartesian), [-1.21785773e-06 -9.99988698e-01 -9.70668133e-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=6.570883334152333,0.42361450000570605,0.942580804198167,101.67413605804046,0.26566955777390566,0.8809543448281332,0.8208686088794455,0.8985375019421591,0.5243267844817998,0.16515287789030308,0.9254758030876378,0.31353625316136724,0.3197820463202403,0.48582743569001696 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 5.70164697e-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=6.570883334152333,0.42361450000570605,0.942580804198167,101.67413605804046,0.26566955777390566,0.8809543448281332,0.8208686088794455,0.8985375019421591,0.5243267844817998,0.16515287789030308,0.9254758030876378,0.31353625316136724,0.3197820463202403,0.48582743569001696 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004200004342381989 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.206,0.44895263,1.0606026,78.3312,0.11922066,0.26570317,0.10106395,0.82055122,0.83491232,0.52461236,0.68668912,0.92539891,0.51420882,0.31969967 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.23166e+00 -5.57192e-06 -6.08254e+00] (Cartesian), [ 6.44535821e-07 -1.99984370e-06 -9.99994218e-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=6.582085736565213,0.42329708934271015,0.9428656266656067,101.66876375800835,0.2657038109222758,0.8807851196115228,0.820551863581997,0.898941835396222,0.5246130033766605,0.1650934578314931,0.9253995563646384,0.31331666336081243,0.3197003143655506,0.4857969624437608 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.10295296e-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=6.582085736565213,0.42329708934271015,0.9428656266656067,101.66876375800835,0.2657038109222758,0.8807851196115228,0.820551863581997,0.898941835396222,0.5246130033766605,0.1650934578314931,0.9253995563646384,0.31331666336081243,0.3197003143655506,0.4857969624437608 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004194997734988624 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2188,0.44846273,1.0602849,78.3398,0.11941767,0.26571682,0.10064642,0.82021662,0.83496978,0.5249222,0.68691992,0.92531962,0.51424793,0.31961428 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.23355 -1.39445 -6.09522] (Cartesian), [-6.50338930e-08 -5.00003240e-01 -9.99993038e-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=6.593689958785236,0.42296224844167823,0.9431492369408202,101.66016665383287,0.7342831128623724,0.11942463416075899,0.17978331837337147,0.10065338593615047,0.4750777367849739,0.8349767397048597,0.07468031183521529,0.6869268805745654,0.6803856525486007,0.5142548920079024 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 6.53072908e-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=6.593689958785236,0.42296224844167823,0.9431492369408202,101.66016665383287,0.7342831128623724,0.11942463416075899,0.17978331837337147,0.10065338593615047,0.4750777367849739,0.8349767397048597,0.07468031183521529,0.6869268805745654,0.6803856525486007,0.5142548920079024 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004189804947861921 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2321,0.4479389,1.0599477,78.3525,0.11964157,0.26570544,0.10020471,0.81986405,0.83501493,0.52526319,0.687155,0.92524054,0.51429096,0.31952631 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.60563 -1.39579 0.0247388] (Cartesian), [-9.99989611e-01 -4.99991730e-01 -3.18380316e-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=6.605745353425884,0.42260578100223,0.9434305433842147,101.64748039077317,0.7343049474808834,0.11964125340176368,0.1801463370678389,0.10020439069605969,0.47474720265830106,0.8350146116724053,0.07476984870191639,0.6871546826596457,0.6804840822368372,0.5142906417601938 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -7.71175627e-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=6.605745353425884,0.42260578100223,0.9434305433842147,101.64748039077317,0.7343049474808834,0.11964125340176368,0.1801463370678389,0.10020439069605969,0.47474720265830106,0.8350146116724053,0.07476984870191639,0.6871546826596457,0.6804840822368372,0.5142906417601938 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004184408923391333 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2458,0.44740466,1.0596401,78.3705,0.1199007,0.26566012,0.099732652,0.81949125,0.83504297,0.52564271,0.6873935,0.92516404,0.51433958,0.31943541 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.61825e+00 -4.81877e-07 2.39393e-02] (Cartesian), [-9.99997223e-01 -1.72443934e-07 -1.92538722e-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=6.6183140974220525,0.4222220427722001,0.9437079541934564,101.62952317513397,0.26566290119069347,0.8800973785348967,0.8194940290772177,0.9002654228556277,0.5256454901935381,0.16495510854560158,0.9251668165266782,0.31260457331395264,0.3194381915890143,0.4856584913127915 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 7.35131337e-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=6.6183140974220525,0.4222220427722001,0.9437079541934564,101.62952317513397,0.26566290119069347,0.8800973785348967,0.8194940290772177,0.9002654228556277,0.5256454901935381,0.16495510854560158,0.9251668165266782,0.31260457331395264,0.3194381915890143,0.4856584913127915 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004178785489240354 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.26,0.44683706,1.059345,78.3955,0.12020761,0.26556725,0.099222109,0.81909505,0.83504581,0.52607237,0.68763441,0.92509376,0.51439883,0.31933965 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.13367e-06 -1.39861e+00 -9.43749e-06] (Cartesian), [-1.06203739e-06 -5.00007646e-01 -1.54191370e-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=6.631481385914351,0.4218027708279208,0.9439781038280025,101.60445851480758,0.7344316919457281,0.12020606530072442,0.18090389209248858,0.09922056671147494,0.47392656388723786,0.835044271643673,0.07490517938269203,0.6876328640236786,0.6806592852743782,0.5143972870653011 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.39390292e-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=6.631481385914351,0.4218027708279208,0.9439781038280025,101.60445851480758,0.7344316919457281,0.12020606530072442,0.18090389209248858,0.09922056671147494,0.47392656388723786,0.835044271643673,0.07490517938269203,0.6876328640236786,0.6806592852743782,0.5143972870653011 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004172906148810246 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2748,0.44621343,1.0590616,78.4306,0.12058264,0.26540498,0.098659927,0.81867141,0.83501059,0.52656971,0.68787508,0.92503634,0.51447527,0.31923687 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.31140e-05 -1.39994e+00 -3.26518e-06] (Cartesian), [-2.07370523e-06 -4.99991418e-01 -5.37876792e-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=6.645365785070029,0.4213354313685586,0.9442360757546082,101.5693967590825,0.7345929448361228,0.12058210456288676,0.18132651197918515,0.09865938895834159,0.47342821257133405,0.8350100516002199,0.07496158672269204,0.6878745381999356,0.6807610568878095,0.5144747305953681 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.56380052e-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=6.645365785070029,0.4213354313685586,0.9442360757546082,101.5693967590825,0.7345929448361228,0.12058210456288676,0.18132651197918515,0.09865938895834159,0.47342821257133405,0.8350100516002199,0.07496158672269204,0.6878745381999356,0.6807610568878095,0.5144747305953681 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004166734751545056 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2903,0.44554314,1.0587889,78.48,0.12105619,0.26513968,0.098027981,0.81821478,0.8349189,0.52716154,0.68811103,0.92500243,0.5145788,0.31912419 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.42076 -1.4013 -6.14871] (Cartesian), [-0.9999936 -0.50000014 -0.99999668] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.660133980488598,0.42080222968509157,0.9444724074372632,101.52003308527381,0.7348667282906922,0.12105951105915613,0.18179161903156893,0.09803130590027687,0.4728448675265944,0.8349222254465931,0.07500397522233726,0.6881143569437513,0.6808822147115026,0.5145821196301958 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.40357956e-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=6.660133980488598,0.42080222968509157,0.9444724074372632,101.52003308527381,0.7348667282906922,0.12105951105915613,0.18179161903156893,0.09803130590027687,0.4728448675265944,0.8349222254465931,0.07500397522233726,0.6881143569437513,0.6808822147115026,0.5145821196301958 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004160238208962674 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3066,0.44480386,1.0585736,78.5476,0.12165736,0.26473497,0.097312488,0.81771935,0.83475996,0.52787661,0.68833681,0.92500274,0.5147145,0.31900302 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.23047e-05 -1.09549e-05 -4.25010e-06] (Cartesian), [-1.97152826e-06 -3.90527272e-06 -6.91936484e-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=6.6759670081219395,0.42018724785452344,0.9446706713688288,101.45237904372645,0.2647330006206061,0.8783419515114241,0.8177173762413301,0.9026868197512687,0.5278746407480728,0.16523935084962638,0.9250007683294554,0.311662493596665,0.31900104573477917,0.4852848120431146 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.05530386e-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=6.6759670081219395,0.42018724785452344,0.9446706713688288,101.45237904372645,0.2647330006206061,0.8783419515114241,0.8177173762413301,0.9026868197512687,0.5278746407480728,0.16523935084962638,0.9250007683294554,0.311662493596665,0.31900104573477917,0.4852848120431146 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004153378395893513 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3237,0.44396477,1.0584152,78.6395,0.12243115,0.26413834,0.096490902,0.81717819,0.8345117,0.52875623,0.68854433,0.92505363,0.51489174,0.31887313 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.45605 -2.80749 -6.19221] (Cartesian), [-0.99999287 -0.99998255 -0.99999159] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.693134311113855,0.4194655071537471,0.9448097130580185,101.36048866332057,0.2641454689884666,0.877577255140646,0.8171853152425066,0.9035175068143917,0.5287633554848972,0.16549671235277774,0.92506075219503,0.3114640797222763,0.31888025248259555,0.48511667013158855 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.89555822e-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=6.693134311113855,0.4194655071537471,0.9448097130580185,101.36048866332057,0.2641454689884666,0.877577255140646,0.8171853152425066,0.9035175068143917,0.5287633554848972,0.16549671235277774,0.92506075219503,0.3114640797222763,0.31888025248259555,0.48511667013158855 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004146111687230684 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3419,0.44303758,1.0583579,78.763,0.12343549,0.26328549,0.095534237,0.81658411,0.83414273,0.52985225,0.68872306,0.92517546,0.51512078,0.31873352 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.47813 -1.40486 -6.21858] (Cartesian), [-0.999994 -0.50000829 -0.99999848] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.7120303854487995,0.4186026058413839,0.9448557847694568,101.23699171606377,0.7367205075831624,0.1234370045100377,0.1834218816165496,0.09553575440782436,0.47015374558065903,0.8341442479726635,0.0748305366995381,0.6887245820520569,0.6812724724659622,0.5151222941544447 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -8.67670006e-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=6.7120303854487995,0.4186026058413839,0.9448557847694568,101.23699171606377,0.7367205075831624,0.1234370045100377,0.1834218816165496,0.09553575440782436,0.47015374558065903,0.8341442479726635,0.0748305366995381,0.6887245820520569,0.6812724724659622,0.5151222941544447 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004138417289903157 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3612,0.44199208,1.0584481,78.9192,0.12468617,0.26216181,0.094435652,0.81593819,0.833647,0.53118058,0.68887084,0.925369,0.51538858,0.31859033 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.22915 -1.4058 -6.24131] (Cartesian), [-1.28317285e-06 -5.00001910e-01 -9.99997244e-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=6.732958539925746,0.4175860052738427,0.9447868844907966,101.0808337143205,0.7378369042903055,0.12468892974972157,0.1840605247606919,0.0944384081874059,0.4688181364424111,0.8336497556223708,0.07462971426806786,0.6888735987699688,0.6814083877560511,0.5153913365059819 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 1.91056115e-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=6.732958539925746,0.4175860052738427,0.9447868844907966,101.0808337143205,0.7378369042903055,0.12468892974972157,0.1840605247606919,0.0944384081874059,0.4688181364424111,0.8336497556223708,0.07462971426806786,0.6888735987699688,0.6814083877560511,0.5153913365059819 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00413031596090039 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3817,0.44086999,1.0586364,79.093,0.12608269,0.26088872,0.093241141,0.81525622,0.83308251,0.53265598,0.6890105,0.92558057,0.51564031,0.31845859 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.22372 -1.40675 -6.26326] (Cartesian), [-1.31132931e-06 -4.99996539e-01 -9.99992136e-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=6.755868371519349,0.41645563855042284,0.9446214067187274,100.90700909430268,0.7391099722206711,0.12609055927301105,0.18474246458376253,0.09324900497832256,0.4673427037426956,0.8330903744114453,0.07441811542122312,0.6890183662226934,0.681540103082741,0.5156481785846236 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.03281345e-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=6.755868371519349,0.41645563855042284,0.9446214067187274,100.90700909430268,0.7391099722206711,0.12609055927301105,0.18474246458376253,0.09324900497832256,0.4673427037426956,0.8330903744114453,0.07441811542122312,0.6890183662226934,0.681540103082741,0.5156481785846236 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004121804618984658 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4036,0.43972141,1.0588575,79.2623,0.12746499,0.25965631,0.092014217,0.81455628,0.83253838,0.53414063,0.68918026,0.92572468,0.51581112,0.31835298 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.00533e-05 -1.40791e+00 -3.92808e-06] (Cartesian), [-1.59374846e-06 -5.00011849e-01 -6.17814277e-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=6.780470762450171,0.41527400857673896,0.9444165232817712,100.73765002642618,0.7403420981958866,0.127464368819048,0.18544213101662677,0.09201359960363265,0.4658577718287855,0.8325377609317082,0.07427372349790429,0.6891796443190379,0.681645426783132,0.5158105022547121 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.77759977e-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=6.780470762450171,0.41527400857673896,0.9444165232817712,100.73765002642618,0.7403420981958866,0.127464368819048,0.18544213101662677,0.09201359960363265,0.4658577718287855,0.8325377609317082,0.07427372349790429,0.6891796443190379,0.681645426783132,0.5158105022547121 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004112785396130034 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4271,0.43851815,1.0590624,79.4158,0.12874421,0.25857216,0.090774719,0.81383984,0.83206442,0.53555849,0.68940741,0.9257424,0.51586493,0.31828135 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.80659 -1.40919 -0.0370741] (Cartesian), [-9.99996721e-01 -4.99990814e-01 -1.24725109e-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=6.806714759534138,0.4140663857426207,0.9442252196270773,100.58421798938424,0.7414311231881086,0.12874296028442056,0.1861634358260571,0.0907734712744368,0.4644447884562348,0.8320631683481401,0.07426087551249938,0.6894061637238633,0.6817219260257017,0.5158636874664806 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.03835374e-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=6.806714759534138,0.4140663857426207,0.9442252196270773,100.58421798938424,0.7414311231881086,0.12874296028442056,0.1861634358260571,0.0907734712744368,0.4644447884562348,0.8320631683481401,0.07426087551249938,0.6894061637238633,0.6817219260257017,0.5158636874664806 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004103056713678072 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4527,0.43727432,1.0592465,79.5528,0.12991424,0.25765529,0.089498613,0.81309104,0.8316689,0.53690332,0.68970655,0.92560431,0.51577982,0.31825176 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.21227 -1.4108 -6.3378 ] (Cartesian), [-1.36318562e-06 -5.00002689e-01 -9.99997783e-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=6.8349745432432245,0.41281570395509215,0.9440728179067147,100.44722028811282,0.7423433441987091,0.1299164597118745,0.1869075935982898,0.0895008300970872,0.46309531360226863,0.8316711119786806,0.07439432363319831,0.6897087650233638,0.6817468785743401,0.51578203314557 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.95813911e-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=6.8349745432432245,0.41281570395509215,0.9440728179067147,100.44722028811282,0.7423433441987091,0.1299164597118745,0.1869075935982898,0.0895008300970872,0.46309531360226863,0.8316711119786806,0.07439432363319831,0.6897087650233638,0.6817468785743401,0.51578203314557 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004092300658118003 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4814,0.43589348,1.059339,79.6771,0.13100297,0.25689633,0.088134749,0.81228145,0.83134698,0.53819557,0.69009187,0.9252796,0.51552153,0.31828078 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.86578 -1.41259 -0.0532259] (Cartesian), [-9.99993399e-01 -4.99991366e-01 -1.35622280e-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=6.866033206494743,0.4114790446687296,0.9439745264983702,100.32291359199515,0.7431102737704394,0.13100161184593806,0.18772514634637338,0.08813339239355145,0.46181103015737035,0.831345624455432,0.07472700040647551,0.6900905096186758,0.6817258223574796,0.5155201784735606 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 1.1296438e-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=6.866033206494743,0.4114790446687296,0.9439745264983702,100.32291359199515,0.7431102737704394,0.13100161184593806,0.18772514634637338,0.08813339239355145,0.46181103015737035,0.831345624455432,0.07472700040647551,0.6900905096186758,0.6817258223574796,0.5155201784735606 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0040801011074122475 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.5145,0.43436948,1.059191,79.7654,0.13183215,0.25655453,0.086683705,0.81134925,0.83116979,0.53925641,0.69064863,0.92460438,0.51499278,0.31840415 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.89983 -1.41485 -0.0587073] (Cartesian), [-9.99990089e-01 -5.00000605e-01 8.61914071e-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=6.900147143137344,0.4100922079379463,0.9441087673520682,100.23456920992318,0.7434553831832287,0.13183300730331604,0.18866065976191737,0.08668456705801697,0.46075350071591026,0.8311706544316007,0.075405534966414,0.6906494962137804,0.6816057644015512,0.5149936454285542 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.62056214e-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=6.900147143137344,0.4100922079379463,0.9441087673520682,100.23456920992318,0.7434553831832287,0.13183300730331604,0.18866065976191737,0.08668456705801697,0.46075350071591026,0.8311706544316007,0.075405534966414,0.6906494962137804,0.6816057644015512,0.5149936454285542 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00406543507724524 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.5552,0.43252685,1.0586252,79.8086,0.13233114,0.25682532,0.085032192,0.81013536,0.8311761,0.5399792,0.69147721,0.92335632,0.51404344,0.31871439 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.7224 -1.41765 -6.50259] (Cartesian), [-0.99999757 -0.5000012 -0.99999848] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.939510684759163,0.40857249803746953,0.9446201214092965,100.19136433947506,0.7431771033424512,0.13233266630757523,0.18986706546951915,0.08503371485801647,0.4600232233923376,0.8311776218336169,0.07664610225226665,0.6914787293918154,0.6812880330723081,0.5140449597577699 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.12907461e-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=6.939510684759163,0.40857249803746953,0.9446201214092965,100.19136433947506,0.7431771033424512,0.13233266630757523,0.18986706546951915,0.08503371485801647,0.4600232233923376,0.8311776218336169,0.07664610225226665,0.6914787293918154,0.6812880330723081,0.5140449597577699 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004044243557884361 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.615,0.4296901,1.0576417,79.8455,0.13280907,0.25777955,0.082525237,0.80814074,0.8313739,0.54046787,0.69277444,0.92090211,0.51210768,0.31962795 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.22529 -1.4212 -6.50052] (Cartesian), [ 4.11545674e-07 -4.99997990e-01 -9.99995122e-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=6.9962945281355555,0.4062738378590779,0.9455036481697616,100.15449870403934,0.7422208598249898,0.1328139442623304,0.1918596674809976,0.08253011506255903,0.45953253869201105,0.8313787753314235,0.07909830622204228,0.6927793136114349,0.6803724649243099,0.5121125583693185 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.48082532e-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=6.9962945281355555,0.4062738378590779,0.9455036481697616,100.15449870403934,0.7422208598249898,0.1328139442623304,0.1918596674809976,0.08253011506255903,0.45953253869201105,0.8313787753314235,0.07909830622204228,0.6927793136114349,0.6803724649243099,0.5121125583693185 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00349613505184478 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.6992,0.39917134,1.0426408,79.9054,0.13122802,0.27966795,0.031892039,0.73365674,0.83731494,0.54026575,0.71887928,0.84951269,0.43245934,0.35485564 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.92307e-05 -1.53665e+00 -3.51845e-06] (Cartesian), [-2.47366106e-06 -4.99999162e-01 -4.43042868e-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=8.02745027432929,0.3828494787556076,0.9591085547296421,100.09460925039286,0.7203295748339049,0.1312275756881751,0.26634078214097046,0.03189159607129732,0.45973177779239416,0.837314496326744,0.15048483437928772,0.718878834966215,0.6451418887189275,0.43245889841547314 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.30595203e-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=8.02745027432929,0.3828494787556076,0.9591085547296421,100.09460925039286,0.7203295748339049,0.1312275756881751,0.26634078214097046,0.03189159607129732,0.45973177779239416,0.837314496326744,0.15048483437928772,0.718878834966215,0.6451418887189275,0.43245889841547314 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