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=6.3507007829197075,0.4303518505742722,0.9334767714427333,101.3425755451955,0.26340045864208084,0.882791622962297,0.8264047529409111,0.8903958832234329,0.5201794887884232,0.1673313716147553,0.926402139865051,0.31857461540584,0.3218719034060604,0.4875600262408968 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 0.0010999029132590932 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=6.3507007829197075,0.4303518505742722,0.9334767714427333,101.3425755451955,0.26340045864208084,0.882791622962297,0.8264047529409111,0.8903958832234329,0.5201794887884232,0.1673313716147553,0.926402139865051,0.31857461540584,0.3218719034060604,0.4875600262408968 --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 0.004301745162124153 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9194,0.46151637,1.0718147,78.6827,0.11722855,0.2633248,0.10988755,0.82654556,0.83260483,0.52006678,0.68126243,0.92639165,0.51233499,0.32194488 --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), [-1.98390949e-06 -4.99990970e-01 -9.99997999e-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=6.344468663287172,0.43060017810094264,0.9330029060384589,101.31733294583519,0.7366732135087875,0.11723055455149023,0.17345245868879866,0.10988955245982068,0.4799312345272517,0.8326068284634873,0.07360636320204805,0.6812644310331808,0.6780531410242956,0.5123369920118719 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -6.05119722e-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=6.344468663287172,0.43060017810094264,0.9330029060384589,101.31733294583519,0.7366732135087875,0.11723055455149023,0.17345245868879866,0.10988955245982068,0.4799312345272517,0.8326068284634873,0.07360636320204805,0.6812644310331808,0.6780531410242956,0.5123369920118719 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004302070765889344 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9183,0.46158525,1.0718787,78.6857,0.11723064,0.2633163,0.10992124,0.82656292,0.83259612,0.52005274,0.68124148,0.92639016,0.51232085,0.32195395 --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), [-0.99999593 -0.50000047 -0.99999373] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.343713249945716,0.43063066324374055,0.9329437845955547,101.31427114097666,0.7366877696809428,0.11723690978414192,0.17344114426115387,0.10992750730958001,0.47995132309569577,0.8326023922279622,0.07361390149977254,0.6812477465240421,0.6780501153075746,0.5123271143092041 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.95219921e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.343713249945716,0.43063066324374055,0.9329437845955547,101.31427114097666,0.7366877696809428,0.11723690978414192,0.17344114426115387,0.10992750730958001,0.47995132309569577,0.8326023922279622,0.07361390149977254,0.6812477465240421,0.6780501153075746,0.5123271143092041 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004302436410893232 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9171,0.46164506,1.0719609,78.6893,0.11723267,0.26330618,0.10995945,0.82658203,0.83258626,0.52003761,0.6812181,0.9263886,0.51230508,0.3219641 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.1625 -1.36579 -5.80178] (Cartesian), [-6.49017569e-07 -4.99987278e-01 -9.99997693e-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=6.342869138915325,0.4306646478809432,0.9328764410717092,101.31069850337498,0.7366931678531641,0.11723497313280662,0.17341731700751617,0.10996175735412894,0.4799617386947337,0.8325885677759324,0.07361075290420738,0.681220409214381,0.6780352472875566,0.5123073906352218 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.13957903e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.342869138915325,0.4306646478809432,0.9328764410717092,101.31069850337498,0.7366931678531641,0.11723497313280662,0.17341731700751617,0.10996175735412894,0.4799617386947337,0.8325885677759324,0.07361075290420738,0.681220409214381,0.6780352472875566,0.5123073906352218 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004302844652108324 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9158,0.46172961,1.0720275,78.6933,0.11723532,0.26329498,0.11000182,0.82660367,0.83257525,0.52002053,0.68119162,0.92638689,0.5122874,0.32197557 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.34189e+00 -1.36575e+00 -2.45484e-03] (Cartesian), [-9.99995572e-01 -5.00002699e-01 -1.59044536e-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=6.341920402338353,0.4307031757481239,0.932801370207773,101.30669171821339,0.7367094519063278,0.11723372727576642,0.17340075402557442,0.11000023102468726,0.47998389412340847,0.8325736572413907,0.0736175423775105,0.6811900319067088,0.6780288547576641,0.5122858072933316 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 7.56692812e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.341920402338353,0.4307031757481239,0.932801370207773,101.30669171821339,0.7367094519063278,0.11723372727576642,0.17340075402557442,0.11000023102468726,0.47998389412340847,0.8325736572413907,0.0736175423775105,0.6811900319067088,0.6780288547576641,0.5122858072933316 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043033017529041165 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), [-1.67013686e-06 -4.99999761e-01 -9.99992878e-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=6.340857940133499,0.4307463332419332,0.9327173996277375,101.30220056538147,0.7367158442515698,0.11724548831326631,0.17337052831448818,0.11005660818224028,0.4799970413947292,0.8325700967443397,0.07361342282263328,0.6811692451340257,0.6780099863276337,0.5122743690167697 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 9.9333987e-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=6.340857940133499,0.4307463332419332,0.9327173996277375,101.30220056538147,0.7367158442515698,0.11724548831326631,0.17337052831448818,0.11005660818224028,0.4799970413947292,0.8325700967443397,0.07361342282263328,0.6811692451340257,0.6780099863276337,0.5122743690167697 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004303812879470783 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9125,0.46191966,1.0722537,78.7028,0.11724182,0.26326846,0.11010292,0.8266547,0.83254932,0.51997981,0.68112916,0.92638277,0.51224439,0.32200261 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.16107 -1.36555 -5.79737] (Cartesian), [-5.23607281e-07 -5.00000783e-01 -9.99994930e-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=6.339667889211648,0.4307947622682435,0.9326236781611568,101.2971967458462,0.736731012764593,0.11724689021338541,0.17334477760885902,0.11010799175794617,0.4800196696901289,0.832554388528949,0.07361670436249423,0.6811342303590759,0.6779968711853721,0.5122494612937563 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.89930783e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.339667889211648,0.4307947622682435,0.9326236781611568,101.2971967458462,0.736731012764593,0.11724689021338541,0.17334477760885902,0.11010799175794617,0.4800196696901289,0.832554388528949,0.07361670436249423,0.6811342303590759,0.6779968711853721,0.5122494612937563 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004304384130676792 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), [-0.99999195 -0.50000988 -0.99999587] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.338335184423377,0.43084910312967767,0.9325191676173897,101.29162308134455,0.7367553392065149,0.11724985533616405,0.1733233852664149,0.11016693639629693,0.48005219118615994,0.8325382629344011,0.07362756079094979,0.6810964715875278,0.6779895285612987,0.5122225840135703 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.56306429e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.338335184423377,0.43084910312967767,0.9325191676173897,101.29162308134455,0.7367553392065149,0.11724985533616405,0.1733233852664149,0.11016693639629693,0.48005219118615994,0.8325382629344011,0.07362756079094979,0.6810964715875278,0.6779895285612987,0.5122225840135703 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004305022251155611 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9085,0.46214775,1.0724888,78.7146,0.11725016,0.263235,0.1102299,0.82671801,0.83251727,0.51992918,0.68105125,0.92637807,0.512189,0.32203627 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.33678e+00 -1.36530e+00 -3.88897e-03] (Cartesian), [-9.99990190e-01 -4.99998258e-01 2.70047220e-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=6.336843048467946,0.430910074650423,0.9324027475534047,101.28541880777013,0.7367748126646081,0.11725042811407538,0.17329179891338242,0.11023017319997286,0.48008063111206845,0.8325175439273467,0.07363173757240915,0.6810515213719694,0.6779735433161007,0.512189274528803 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.82203063e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.336843048467946,0.430910074650423,0.9324027475534047,101.28541880777013,0.7367748126646081,0.11725042811407538,0.17329179891338242,0.11023017319997286,0.48008063111206845,0.8325175439273467,0.07363173757240915,0.6810515213719694,0.6779735433161007,0.512189274528803 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004305734736862376 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9061,0.46228476,1.0726537,78.7215,0.11725517,0.26321509,0.11030505,0.8267551,0.83249857,0.51989948,0.68100541,0.92637553,0.51215554,0.32205604 --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), [-1.56198378e-06 -9.99987853e-01 -9.99997030e-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=6.335172874046218,0.4309784783349436,0.9322731945389063,101.27852055395249,0.26321352625554884,0.8827478023565578,0.8267535399714756,0.8896979165178209,0.5198979223560469,0.1675044024239003,0.9263739705059575,0.31899755951821085,0.3220544829335792,0.4878474285452348 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 3.82237538e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.335172874046218,0.4309784783349436,0.9322731945389063,101.27852055395249,0.26321352625554884,0.8827478023565578,0.8267535399714756,0.8896979165178209,0.5198979223560469,0.1675044024239003,0.9263739705059575,0.31899755951821085,0.3220544829335792,0.4878474285452348 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004306528929411788 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9035,0.46243754,1.0728043,78.7293,0.11726108,0.26319258,0.11038901,0.82679643,0.83247779,0.51986637,0.68095427,0.92637289,0.51211754,0.32207808 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.61499e-06 -1.36500e+00 -1.61643e-05] (Cartesian), [-2.55646061e-07 -4.99999373e-01 -2.79216530e-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=6.333300785613613,0.4310553871344511,0.9321296665352248,101.27071564898472,0.7368071612030445,0.11725828701771146,0.17320331470559247,0.11038621364310086,0.4801333726328174,0.8324749999117644,0.0736268513756344,0.6809514761863664,0.6779216687980651,0.51211475093325 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.54060276e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.333300785613613,0.4310553871344511,0.9321296665352248,101.27071564898472,0.7368071612030445,0.11725828701771146,0.17320331470559247,0.11038621364310086,0.4801333726328174,0.8324749999117644,0.0736268513756344,0.6809514761863664,0.6779216687980651,0.51211475093325 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004307416120552154 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9005,0.46260486,1.0729938,78.7377,0.11726738,0.26316751,0.11048325,0.82684207,0.83245484,0.51982973,0.68089739,0.92637021,0.51207429,0.32210255 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.33119e+00 -2.72959e+00 -5.45727e-03] (Cartesian), [-9.99996721e-01 -9.99979059e-01 3.79997220e-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=6.331213065468249,0.4311412571740826,0.9319693074968658,101.26230658075086,0.2631707882676737,0.882732659865312,0.826845351041412,0.8895167868271274,0.5198330092086918,0.16754519378321353,0.9263734880876866,0.31910265202135735,0.32210582913518904,0.4879257458143078 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 6.49364086e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.331213065468249,0.4311412571740826,0.9319693074968658,101.26230658075086,0.2631707882676737,0.882732659865312,0.826845351041412,0.8895167868271274,0.5198330092086918,0.16754519378321353,0.9263734880876866,0.31910265202135735,0.32210582913518904,0.4879257458143078 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004308401808548197 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8972,0.4627959,1.0732042,78.7471,0.11727458,0.26313882,0.11058821,0.82689268,0.83242961,0.51978923,0.68083431,0.92636792,0.51202492,0.32212965 --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), [-4.75408144e-07 -4.99987495e-01 -9.99997330e-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=6.328869844410709,0.43123785572158235,0.9317946317421492,101.25285089316804,0.7368607049192997,0.1172772505056141,0.17310684492224526,0.11059087778655252,0.4802102978956668,0.832432279241357,0.07363160090289944,0.6808369823135001,0.6778698723753482,0.5120275925591011 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.47826638e-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=6.328869844410709,0.43123785572158235,0.9317946317421492,101.25285089316804,0.7368607049192997,0.1172772505056141,0.17310684492224526,0.11059087778655252,0.4802102978956668,0.832432279241357,0.07363160090289944,0.6808369823135001,0.6778698723753482,0.5120275925591011 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004309499690483968 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8935,0.46301858,1.0734368,78.7574,0.11728235,0.2631066,0.11070564,0.82694852,0.83240183,0.51974452,0.68076434,0.92636588,0.5119687,0.32215968 --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), [-9.40426790e-07 -4.99999425e-01 -9.99988301e-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=6.326253832486585,0.4313458187647261,0.9316016130550856,101.2425741799724,0.7368924572265207,0.11729404653094333,0.17305054401338427,0.11071733967229469,0.4802545388585293,0.832413527643397,0.07363317514301282,0.6807760347524496,0.6778393774399365,0.5119803956768887 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -1.6864483e-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=6.326253832486585,0.4313458187647261,0.9316016130550856,101.2425741799724,0.7368924572265207,0.11729404653094333,0.17305054401338427,0.11071733967229469,0.4802545388585293,0.832413527643397,0.07363317514301282,0.6807760347524496,0.6778393774399365,0.5119803956768887 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00431072007566029 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8895,0.46324815,1.0736565,78.7687,0.11729092,0.26307019,0.11083656,0.82701012,0.83237133,0.51969521,0.68068687,0.92636446,0.51190464,0.32219287 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.32328 -2.7283 -0.00755259] (Cartesian), [-9.99993056e-01 -9.99997819e-01 -2.69502818e-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=6.323328731793824,0.4314667266027106,0.9313903338681867,101.23132424386732,0.263077136449853,0.8827088153361315,0.827017068328622,0.8891631745042963,0.5197021527294949,0.16762839964565535,0.9263714054749608,0.31931285678827326,0.322199814292901,0.4880950954331431 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 3.09218432e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.323328731793824,0.4314667266027106,0.9313903338681867,101.23132424386732,0.263077136449853,0.8827088153361315,0.827017068328622,0.8891631745042963,0.5197021527294949,0.16762839964565535,0.9263714054749608,0.31931285678827326,0.322199814292901,0.4880950954331431 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004312075549887269 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.885,0.46351742,1.0739337,78.781,0.11730027,0.263029,0.11098243,0.82707797,0.83233781,0.51964103,0.68060115,0.92636371,0.51183184,0.32222948 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.38193e-05 -1.22550e-05 -7.88255e-06] (Cartesian), [-2.43504050e-06 -4.49271213e-06 -1.36235245e-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=6.320062677612882,0.4316018899939107,0.931158717072627,101.21898872077263,0.2630265639038276,0.8826983654371334,0.8270755307292732,0.8890162037578415,0.519638596457892,0.16766082918194236,0.9263612769616705,0.31939748623317676,0.3222270471223443,0.48816679601502067 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.57866921e-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=6.320062677612882,0.4316018899939107,0.931158717072627,101.21898872077263,0.2630265639038276,0.8826983654371334,0.8270755307292732,0.8890162037578415,0.519638596457892,0.16766082918194236,0.9263612769616705,0.31939748623317676,0.3222270471223443,0.48816679601502067 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004313579011985652 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.88,0.46379252,1.0742177,78.7944,0.11731034,0.26298234,0.11114474,0.82715249,0.83230117,0.5195816,0.68050661,0.92636416,0.51174899,0.32226979 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.31639 -1.36354 -0.00928461] (Cartesian), [-9.99997223e-01 -4.99990686e-01 2.49980713e-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=6.316414076316439,0.4317530117851318,0.9309073254066726,101.20559373908972,0.737020436260583,0.11731059438235492,0.17285028863662966,0.11114498852908539,0.4804211740179585,0.8323014190173454,0.07363861547798534,0.680506862390911,0.6777329838575652,0.5117492372121264 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.21286111e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.316414076316439,0.4317530117851318,0.9309073254066726,101.20559373908972,0.737020436260583,0.11731059438235492,0.17285028863662966,0.11114498852908539,0.4804211740179585,0.8323014190173454,0.07363861547798534,0.680506862390911,0.6777329838575652,0.5117492372121264 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004315244085570173 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8745,0.46410758,1.0745255,78.809,0.11732089,0.26292931,0.11132492,0.82723421,0.83226115,0.51951669,0.68040259,0.92636628,0.51165494,0.32231405 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.31228 -2.72639 -0.0102639] (Cartesian), [-9.99992114e-01 -9.99982804e-01 -1.39032346e-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=6.312338284959194,0.43192185849227765,0.9306365189479007,101.19104760899283,0.262937200411695,0.8826789739592367,0.8272420943015357,0.8886749367009843,0.5195245769577257,0.16773871525434325,0.9263741637568854,0.31959726949646905,0.32232193646503005,0.48834491876439756 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.39763945e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.312338284959194,0.43192185849227765,0.9306365189479007,101.19104760899283,0.262937200411695,0.8826789739592367,0.8272420943015357,0.8886749367009843,0.5195245769577257,0.16773871525434325,0.9263741637568854,0.31959726949646905,0.32232193646503005,0.48834491876439756 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004317086010837993 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8684,0.46447072,1.0748756,78.8245,0.11733213,0.2628691,0.11152439,0.82732346,0.8322176,0.519446,0.68028847,0.92637072,0.51154827,0.32236241 --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), [ 1.87247460e-07 -5.00010987e-01 -9.99994221e-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=6.307793240743469,0.43210993202294684,0.9303455710081769,101.1754833726981,0.737131087536119,0.11733790491464591,0.17267672469565976,0.11153017304110402,0.48055418693202934,0.8322233761618452,0.07362947067993608,0.6802942509947227,0.677637776240172,0.511554050279428 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.02556104e-19] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.307793240743469,0.43210993202294684,0.9303455710081769,101.1754833726981,0.737131087536119,0.11733790491464591,0.17267672469565976,0.11153017304110402,0.48055418693202934,0.8322233761618452,0.07362947067993608,0.6802942509947227,0.677637776240172,0.511554050279428 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043191216707875795 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8618,0.46484015,1.0752158,78.8411,0.11734324,0.26280069,0.11174515,0.82742071,0.8321702,0.51936941,0.68016354,0.92637811,0.51142752,0.32241528 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.30268 -1.3624 -0.0124262] (Cartesian), [-9.99994967e-01 -5.00001752e-01 -1.81024734e-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=6.302726025356127,0.4323193554006759,0.9300355485154355,101.15893751346786,0.7372043387178109,0.11734143218096982,0.17258431930056628,0.11174334233025318,0.48063562326008435,0.8321683911144078,0.07362692579566099,0.6801617279144074,0.6775897549593106,0.511425710160629 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.000000e+00 0.000000e+00 -4.768297e-17] [ 0.000000e+00 1.000000e+00 0.000000e+00] [ 0.000000e+00 0.000000e+00 -1.000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.302726025356127,0.4323193554006759,0.9300355485154355,101.15893751346786,0.7372043387178109,0.11734143218096982,0.17258431930056628,0.11174334233025318,0.48063562326008435,0.8321683911144078,0.07362692579566099,0.6801617279144074,0.6775897549593106,0.511425710160629 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004321365185943422 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8545,0.46524895,1.0756,78.8586,0.11735388,0.26272246,0.11198794,0.82752653,0.83211889,0.51928682,0.68002741,0.92638963,0.51129184,0.32247256 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.63243e-06 -2.72380e+00 -1.49278e-05] (Cartesian), [-1.84226175e-06 -9.99995451e-01 -2.59554651e-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=6.297073465448481,0.4325521060540687,0.9297113795421459,101.14138101048957,0.2627206133636908,0.8826435213180894,0.8275246881677576,0.8880094619189292,0.5192849740473959,0.16787851590463476,0.9263877839371464,0.3199699919582497,0.3224707173407686,0.4887055681294392 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 4.85673955e-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=6.297073465448481,0.4325521060540687,0.9297113795421459,101.14138101048957,0.2627206133636908,0.8826435213180894,0.8275246881677576,0.8880094619189292,0.5192849740473959,0.16787851590463476,0.9263877839371464,0.3199699919582497,0.3224707173407686,0.4887055681294392 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004323836844161359 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8465,0.46569743,1.0759942,78.877,0.11736381,0.26263317,0.11225547,0.82764088,0.83206322,0.51919834,0.67987936,0.92640641,0.51113798,0.32253506 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-7.83865e-06 -1.36135e+00 -1.05472e-05] (Cartesian), [-1.57905697e-06 -4.99996697e-01 -1.83534313e-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=6.2907777289927544,0.4328110298266554,0.9293721422227897,101.12299836612003,0.7373652499959453,0.11736197734860587,0.17235754127166159,0.11225363508825814,0.480800077179649,0.8320613868631652,0.07359201104466129,0.679877525303541,0.677463358663339,0.5111361446295484 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.70375288e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2907777289927544,0.4328110298266554,0.9293721422227897,101.12299836612003,0.7373652499959453,0.11736197734860587,0.17235754127166159,0.11225363508825814,0.480800077179649,0.8320613868631652,0.07359201104466129,0.679877525303541,0.677463358663339,0.5111361446295484 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004326543605141577 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): [-1.49257e-05 -1.36076e+00 -1.86076e-05] (Cartesian), [-2.96283375e-06 -5.00009938e-01 -3.24154925e-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=6.283758604607212,0.4330952344508847,0.9290386723108625,101.10410962161413,0.7374666435681769,0.11736707595649332,0.172231323006238,0.11254097726818468,0.4808931968346142,0.8320006664836392,0.07356713397896786,0.679716668635292,0.6773966419275275,0.5109687973701602 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.81023082e-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=6.283758604607212,0.4330952344508847,0.9290386723108625,101.10410962161413,0.7374666435681769,0.11736707595649332,0.172231323006238,0.11254097726818468,0.4808931968346142,0.8320006664836392,0.07356713397896786,0.679716668635292,0.6773966419275275,0.5109687973701602 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004329495358387464 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8286,0.46666438,1.0767423,78.9148,0.11737066,0.26241169,0.11285134,0.82790281,0.83194151,0.51900338,0.67954947,0.92646163,0.5107991,0.32266654 --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), [-0.99999074 -0.499997 -0.99998856] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.275937031588498,0.4334040162350431,0.9287296463662562,101.08516567936664,0.7375975792197897,0.11738209478539918,0.17210645825506732,0.11286277803220335,0.48100588174489367,0.8319529433670505,0.07354763590588975,0.6795609060703489,0.6773427289266376,0.5108105354333679 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.37700708e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.275937031588498,0.4334040162350431,0.9287296463662562,101.08516567936664,0.7375975792197897,0.11738209478539918,0.17210645825506732,0.11286277803220335,0.48100588174489367,0.8319529433670505,0.07354763590588975,0.6795609060703489,0.6773427289266376,0.5108105354333679 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004332703280460454 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8189,0.46715015,1.0770421,78.9334,0.11736203,0.26227406,0.11317413,0.82805379,0.83187657,0.51889739,0.67936826,0.92650334,0.51062393,0.32273177 --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), [-0.99999386 -0.9999852 -0.99999978] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.267224552484792,0.4337374868129516,0.9284645540725547,101.06655408935913,0.2622802016309489,0.8826381884260326,0.8280599328137987,0.8868260873007081,0.5189035328279339,0.16812365109564142,0.9265094831113316,0.3206319606275301,0.32273790748056586,0.48937629426674256 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.39571276e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.267224552484792,0.4337374868129516,0.9284645540725547,101.06655408935913,0.2622802016309489,0.8826381884260326,0.8280599328137987,0.8868260873007081,0.5189035328279339,0.16812365109564142,0.9265094831113316,0.3206319606275301,0.32273790748056586,0.48937629426674256 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004336182422076721 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8086,0.46765141,1.077282,78.9513,0.11734232,0.26211491,0.11351231,0.82821962,0.83180919,0.51878635,0.67917633,0.92655689,0.51044751,0.32279543 --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), [-0.99999266 -0.50000798 -0.99999809] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.257532193928965,0.43409711500105475,0.9282574893003727,101.04865962821764,0.7378924350582958,0.11734422819682222,0.17178772518740493,0.11351422077605444,0.48122099479859837,0.8318110960208114,0.07345045256708582,0.6791782402686475,0.6772119133659593,0.5104494229072776 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.29069131e-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=6.257532193928965,0.43409711500105475,0.9282574893003727,101.04865962821764,0.7378924350582958,0.11734422819682222,0.17178772518740493,0.11351422077605444,0.48122099479859837,0.8318110960208114,0.07345045256708582,0.6791782402686475,0.6772119133659593,0.5104494229072776 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004339949984925515 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7978,0.46812584,1.0774432,78.9681,0.11730902,0.26193094,0.11386447,0.82840142,0.83173976,0.51867075,0.67897363,0.92662418,0.51027201,0.32285663 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.50430e-05 -2.71409e+00 -7.75998e-06] (Cartesian), [-2.65283381e-06 -9.99988201e-01 -1.35495926e-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=6.246759237230711,0.43448481380837,0.9281262056894111,101.03187094381362,0.26192828792963696,0.8826896245143767,0.8283987681877079,0.8861341780442191,0.5186680983828962,0.16825888195540872,0.926621529067563,0.3210250176512406,0.3228539722420749,0.48972663900591074 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 3.84811368e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.246759237230711,0.43448481380837,0.9281262056894111,101.03187094381362,0.26192828792963696,0.8826896245143767,0.8283987681877079,0.8861341780442191,0.5186680983828962,0.16825888195540872,0.926621529067563,0.3210250176512406,0.3228539722420749,0.48972663900591074 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004344020690100459 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7865,0.46859069,1.0774734,78.9833,0.11725905,0.26171892,0.1142298,0.82860048,0.83166875,0.51855144,0.6787602,0.92670717,0.51009947,0.32291475 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 2.19899e-06 -1.35574e+00 -1.57437e-05] (Cartesian), [-1.47765505e-07 -4.99990622e-01 -2.77317130e-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=6.234801732588485,0.4349024996261258,0.9280902151928628,101.01671345216528,0.7382809321855255,0.11725627459714794,0.1713993770657063,0.1142270296718717,0.4814484153242833,0.8316659727647562,0.07329268241506215,0.6787574238089196,0.6770851022292417,0.5100966937285016 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 7.74184488e-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=6.234801732588485,0.4349024996261258,0.9280902151928628,101.01671345216528,0.7382809321855255,0.11725627459714794,0.1713993770657063,0.1142270296718717,0.4814484153242833,0.8316659727647562,0.07329268241506215,0.6787574238089196,0.6770851022292417,0.5100966937285016 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004348402511266418 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7747,0.46904601,1.0773893,78.9957,0.11718748,0.2614731,0.11460505,0.82881652,0.83159648,0.51843239,0.67853761,0.92681128,0.50993634,0.32297035 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.1222 -1.35431 -5.66461] (Cartesian), [-2.26965656e-06 -5.00012066e-01 -9.99998299e-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=6.221553679004695,0.43535020015627734,0.9281782359762933,101.00433883253486,0.7385246313221607,0.11718917996614264,0.1711812108458577,0.11460675277740573,0.4815653392368022,0.831598181915262,0.07318645003904134,0.6785393131173811,0.6770273775112876,0.509938043702584 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.26978492e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.221553679004695,0.43535020015627734,0.9281782359762933,101.00433883253486,0.7385246313221607,0.11718917996614264,0.1711812108458577,0.11460675277740573,0.4815653392368022,0.831598181915262,0.07318645003904134,0.6785393131173811,0.6770273775112876,0.509938043702584 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004353093646642037 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7627,0.46941538,1.0770819,79.0026,0.11708448,0.26118753,0.11498566,0.82904803,0.83152395,0.51831959,0.67831101,0.92694422,0.50979271,0.3230288 --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), [-0.99999669 -0.49999212 -0.99999638] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.206918533285801,0.4358237707038969,0.9284346881240255,100.99743049297925,0.7388157771279678,0.11708810107567769,0.17095527541437705,0.11498928267252628,0.4816837155742144,0.8315275687703909,0.07305908751842116,0.6783146290761277,0.6769745040607411,0.5097963310846789 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.93012758e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.206918533285801,0.4358237707038969,0.9284346881240255,100.99743049297925,0.7388157771279678,0.11708810107567769,0.17095527541437705,0.11498928267252628,0.4816837155742144,0.8315275687703909,0.07305908751842116,0.6783146290761277,0.6769745040607411,0.5097963310846789 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0043581081044217875 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), [-9.99994095e-01 -4.99999458e-01 1.22832083e-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=6.190924890741076,0.4363165403016164,0.9288427483841883,100.99521699025775,0.7391425750113298,0.1169450818257749,0.17070792804320067,0.11537942385771771,0.481793402012314,0.8314521014259628,0.07290964403388678,0.6780796793370567,0.6769076204392634,0.5096672795338597 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -9.95199097e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.190924890741076,0.4363165403016164,0.9288427483841883,100.99521699025775,0.7391425750113298,0.1169450818257749,0.17070792804320067,0.11537942385771771,0.481793402012314,0.8314521014259628,0.07290964403388678,0.6780796793370567,0.6769076204392634,0.5096672795338597 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00436346523073514 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7378,0.47000593,1.075935,79.0021,0.11676087,0.26049776,0.11578989,0.82956908,0.8313814,0.51811283,0.67784296,0.92726282,0.50956159,0.32318331 --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), [-9.99995409e-01 -5.00012870e-01 -2.00964161e-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=6.173517152032377,0.4368256411892065,0.9294142471079326,100.9979190768562,0.7395068269429066,0.11675886360421694,0.1704355129097217,0.11578788372744908,0.48189176217463703,0.831379385570008,0.07274177162169382,0.6778409467319295,0.6768212771692492,0.5095595833638606 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.18877943e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.173517152032377,0.4368256411892065,0.9294142471079326,100.9979190768562,0.7395068269429066,0.11675886360421694,0.1704355129097217,0.11578788372744908,0.48189176217463703,0.831379385570008,0.07274177162169382,0.6778409467319295,0.6768212771692492,0.5095595833638606 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004369171802341129 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.725,0.47016594,1.0750393,78.9936,0.11650884,0.26008706,0.11622178,0.82986335,0.8313127,0.51802492,0.67761659,0.92743813,0.50948298,0.32328606 --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), [ 6.16096117e-07 -5.00008549e-01 -9.99997233e-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=6.154590415740753,0.43734412758142466,0.9302022115490777,101.00637984331692,0.7399135526769547,0.11651161178834712,0.1701372632443232,0.11622454294001194,0.481975695787505,0.831315465232271,0.0725624830825018,0.677619356787249,0.6767145558573697,0.5094857512323894 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.000000e+00 0.000000e+00 9.069644e-18] [ 0.000000e+00 1.000000e+00 0.000000e+00] [ 0.000000e+00 0.000000e+00 -1.000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.154590415740753,0.43734412758142466,0.9302022115490777,101.00637984331692,0.7399135526769547,0.11651161178834712,0.1701372632443232,0.11622454294001194,0.481975695787505,0.831315465232271,0.0725624830825018,0.677619356787249,0.6767145558573697,0.5094857512323894 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00437524830063562 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7126,0.4701537,1.0737843,78.9751,0.11615205,0.25962502,0.11667034,0.83018272,0.83124417,0.51795993,0.6774054,0.92760982,0.509455,0.32341218 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.75909e-07 -2.68580e+00 -1.14841e-05] (Cartesian), [-4.64225881e-07 -9.99993120e-01 -2.04780308e-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=6.134097328129326,0.43785064626170006,0.9312810293408411,101.02492975199314,0.2596245574462541,0.8838459071355698,0.8301822585701748,0.8833276102494803,0.5179594654340129,0.16875378439282862,0.9276093586797449,0.3225925507856364,0.3234117109648247,0.49054295466352693 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 8.65248063e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.134097328129326,0.43785064626170006,0.9312810293408411,101.02492975199314,0.2596245574462541,0.8838459071355698,0.8301822585701748,0.8833276102494803,0.5179594654340129,0.16875378439282862,0.9276093586797449,0.3225925507856364,0.3234117109648247,0.49054295466352693 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004381865291656512 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7019,0.46979077,1.0719059,78.9274,0.11554696,0.25907687,0.11711586,0.83054011,0.83116594,0.51797157,0.67720012,0.92774594,0.50957572,0.32358421 --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), [-0.99999423 -0.50000864 -0.99999613] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1119231932435705,0.4382701868267219,0.9329157677490012,101.07256031549241,0.7409288980006248,0.11555082543547601,0.16946566441986066,0.11711972761843792,0.4820341990519956,0.8311698128570928,0.07225982596058222,0.6772039879248615,0.676421562519538,0.509579592418584 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.30891663e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1119231932435705,0.4382701868267219,0.9329157677490012,101.07256031549241,0.7409288980006248,0.11555082543547601,0.16946566441986066,0.11711972761843792,0.4820341990519956,0.8311698128570928,0.07225982596058222,0.6772039879248615,0.676421562519538,0.509579592418584 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004404391625518085 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.693,0.46897945,1.0662217,78.8311,0.1116219,0.25689452,0.11950212,0.83239797,0.83057453,0.51920838,0.67634874,0.92671619,0.51067099,0.32475279 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.06998 -1.33496 -0.00644407] (Cartesian), [-9.99990217e-01 -5.00008657e-01 -5.19768795e-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=6.070043375241031,0.4398442661254927,0.937882006768622,101.16893708222915,0.7431152663785796,0.1116213753459796,0.1676118139374838,0.11950160116924757,0.4808014050174003,0.8305740111892717,0.07329359203034835,0.6763482170350195,0.6752569890459781,0.5106704734459055 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.93091887e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.070043375241031,0.4398442661254927,0.937882006768622,101.16893708222915,0.7431152663785796,0.1116213753459796,0.1676118139374838,0.11950160116924757,0.4808014050174003,0.8305740111892717,0.07329359203034835,0.6763482170350195,0.6752569890459781,0.5106704734459055 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004424911295676665 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): [-6.84572e-06 -1.18639e-05 -6.77719e-06] (Cartesian), [-1.37087025e-06 -4.44198992e-06 -1.20914369e-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=5.979880687084062,0.4466397687729923,0.959781844561421,101.43998086020261,0.2516437278069845,0.8904058960430401,0.8328394387051081,0.8803850684140846,0.5195580207822073,0.16824025777949658,0.9262609130893051,0.32549220779136734,0.32605370725937255,0.48946539376697507 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.14083782e-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=5.979880687084062,0.4466397687729923,0.959781844561421,101.43998086020261,0.2516437278069845,0.8904058960430401,0.8328394387051081,0.8803850684140846,0.5195580207822073,0.16824025777949658,0.9262609130893051,0.32549220779136734,0.32605370725937255,0.48946539376697507 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004426733194576931 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), [-1.74856667e-06 -9.99984760e-01 -9.99995563e-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=5.96497919633769,0.445538939059709,0.959755066396694,101.48282965021306,0.25193602488286193,0.8907716423026673,0.833129110002083,0.880086532154654,0.5192162811791432,0.16854934168368363,0.9262933511478149,0.32546849603516637,0.3259083931975577,0.48920061705905815 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -9.52219676e-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=5.96497919633769,0.445538939059709,0.959755066396694,101.48282965021306,0.25193602488286193,0.8907716423026673,0.833129110002083,0.880086532154654,0.5192162811791432,0.16854934168368363,0.9262933511478149,0.32546849603516637,0.3259083931975577,0.48920061705905815 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044282412800212955 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.7097,0.46298404,1.0420337,78.47,0.10890184,0.252261,0.12017943,0.83345358,0.83113791,0.51886035,0.67456518,0.92631454,0.5111189,0.3257337 --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), [-4.81647135e-07 -9.99996652e-01 -9.99995893e-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=5.949685431479027,0.44431069191171085,0.959666656061277,101.53003172937792,0.2522605213813538,0.891102262900004,0.8334531030532286,0.8798246753756134,0.5188598731107792,0.1688661990989091,0.9263140621253523,0.32543892593609924,0.3257332176641501,0.48888520494579346 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -6.49369989e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.949685431479027,0.44431069191171085,0.959666656061277,101.53003172937792,0.2522605213813538,0.891102262900004,0.8334531030532286,0.8798246753756134,0.5188598731107792,0.1688661990989091,0.9263140621253523,0.32543892593609924,0.3257332176641501,0.48888520494579346 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004429416086646677 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), [-0.99999221 -0.50001228 -0.99999764] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.934034339397163,0.44294577870728097,0.959516485871621,101.58249426081989,0.7473897045275528,0.10860115151498517,0.1661955541938367,0.12039614875807647,0.4815221793166946,0.8308093117745003,0.07368912543990946,0.6745980833636507,0.6744834847911116,0.5114849208745396 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 8.59891952e-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=5.934034339397163,0.44294577870728097,0.959516485871621,101.58249426081989,0.7473897045275528,0.10860115151498517,0.1661955541938367,0.12039614875807647,0.4815221793166946,0.8308093117745003,0.07368912543990946,0.6745980833636507,0.6744834847911116,0.5114849208745396 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430243990050308 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), [-6.88328051e-07 -9.99983867e-01 -9.99991106e-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=5.918070385288449,0.4414330983419752,0.9593055053837646,101.64123875122989,0.2530121897303972,0.8916877844481168,0.8342099730963133,0.8794522859857534,0.5180921919464816,0.1695471186577926,0.926304414993687,0.3253799060714808,0.3252796308303232,0.48810955814448986 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.73156073e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.918070385288449,0.4414330983419752,0.9593055053837646,101.64123875122989,0.2530121897303972,0.8916877844481168,0.8342099730963133,0.8794522859857534,0.5180921919464816,0.1695471186577926,0.926304414993687,0.3253799060714808,0.3252796308303232,0.48810955814448986 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430721055453384 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.6601,0.45854314,1.0427024,78.2926,0.10806424,0.25344989,0.12066385,0.83465321,0.83010129,0.51768126,0.67466636,0.92627105,0.51237454,0.32499997 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.90168 -1.2977 0.0346107] (Cartesian), [-9.99988644e-01 -5.00001589e-01 -1.79282422e-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=5.901848717010611,0.43975911255792566,0.9590364247086162,101.70744505177743,0.746561465056713,0.10806406517537148,0.16535814142552585,0.12066367055370986,0.48233009679551886,0.8301011118346451,0.07374030612535809,0.6746661783887582,0.6750113902209627,0.5123743641448253 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -6.85835805e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.901848717010611,0.43975911255792566,0.9590364247086162,101.70744505177743,0.746561465056713,0.10806406517537148,0.16535814142552585,0.12066367055370986,0.48233009679551886,0.8301011118346451,0.07374030612535809,0.6746661783887582,0.6750113902209627,0.5123743641448253 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430921359540944 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): [-2.88004e-06 -2.57720e+00 -1.59719e-05] (Cartesian), [-1.03841899e-06 -9.99996074e-01 -2.89468341e-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=5.8852884287379865,0.43790718980350923,0.9588067695661802,101.78059495075124,0.2539385531252416,0.8921688116820023,0.8351528745967838,0.8793211086333863,0.5172384582868095,0.17027164952901375,0.9262243747763361,0.3252846186589293,0.3246896146384166,0.4871043124094685 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.82502757e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.8852884287379865,0.43790718980350923,0.9588067695661802,101.78059495075124,0.2539385531252416,0.8921688116820023,0.8351528745967838,0.8793211086333863,0.5172384582868095,0.17027164952901375,0.9262243747763361,0.3252846186589293,0.3246896146384166,0.4871043124094685 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430947879907302 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 -1.07820e-05 -5.47197e+00] (Cartesian), [-9.99991463e-01 -4.21541234e-06 -9.99999317e-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=5.8683419776972,0.43585682434908335,0.958703285682411,101.86080847682592,0.25449845540713234,0.8923938315851898,0.8357342723195194,0.8794284623499549,0.5167673974552773,0.17066699944587627,0.9261797802498948,0.3252352181251046,0.3243680592102576,0.48655586629387226 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.70494561e-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=5.8683419776972,0.43585682434908335,0.958703285682411,101.86080847682592,0.25449845540713234,0.8923938315851898,0.8357342723195194,0.8794284623499549,0.5167673974552773,0.17066699944587627,0.9261797802498948,0.3252352181251046,0.3243680592102576,0.48655586629387226 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430918118429242 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 -1.2685 -5.45064] (Cartesian), [-0.99999112 -0.49999871 -0.99999214] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.851038772785119,0.43359933766418224,0.9587398890189479,101.94878136087958,0.7449179146796641,0.1073773420076547,0.1636564632235462,0.12039219361820264,0.4837553233329204,0.8289319261215793,0.07390711244890635,0.6748309287442242,0.6759983610638396,0.5140432312428507 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -6.18978385e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.851038772785119,0.43359933766418224,0.9587398890189479,101.94878136087958,0.7449179146796641,0.1073773420076547,0.1636564632235462,0.12039219361820264,0.4837553233329204,0.8289319261215793,0.07390711244890635,0.6748309287442242,0.6759983610638396,0.5140432312428507 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431098417330167 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5939,0.44957901,1.0428145,77.9563,0.10704568,0.25571191,0.12019231,0.8369784,0.82849298,0.51576554,0.67488741,0.92600757,0.51466851,0.32365409 --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), [-1.81754805e-06 -4.99986288e-01 -9.99996591e-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=5.833363315704057,0.43113189326856927,0.9589511471650324,102.04371098498504,0.7442862708403517,0.10704909029513043,0.16301978272398543,0.12019571742622981,0.48423263952471096,0.8284963937127756,0.0739906106405146,0.6748908183883955,0.676344092562823,0.5146719211732902 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.000000e+00 0.000000e+00 -2.246392e-17] [ 0.000000e+00 1.000000e+00 0.000000e+00] [ 0.000000e+00 0.000000e+00 -1.000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.833363315704057,0.43113189326856927,0.9589511471650324,102.04371098498504,0.7442862708403517,0.10704909029513043,0.16301978272398543,0.12019571742622981,0.48423263952471096,0.8284963937127756,0.0739906106405146,0.6748908183883955,0.676344092562823,0.5146719211732902 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431994170582085 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 0.0574345] (Cartesian), [-9.99989477e-01 -9.99985484e-01 3.56572924e-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=5.815844388863945,0.42823122235929867,0.9595817034381999,102.16015846401156,0.25638686414738254,0.8935515462639336,0.8376459673002774,0.8799736530634568,0.5153410606598672,0.1720062276828862,0.9258421139714175,0.3250319779312467,0.3232795409311464,0.4845480625785248 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.25937689e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.815844388863945,0.42823122235929867,0.9595817034381999,102.16015846401156,0.25638686414738254,0.8935515462639336,0.8376459673002774,0.8799736530634568,0.5153410606598672,0.1720062276828862,0.9258421139714175,0.3250319779312467,0.3232795409311464,0.4845480625785248 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044379901483960925 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), [ 7.32325455e-07 -9.99978820e-01 -9.99996874e-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=5.801991430301281,0.42337912041390646,0.9625675723080305,102.41855869263179,0.25718616333926336,0.8959634344532721,0.8385857619049157,0.8798710984887119,0.5153693447639411,0.1729225193665358,0.925150088727734,0.3248596396117511,0.32274280453527604,0.48273669882719417 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.35144753e-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=5.801991430301281,0.42337912041390646,0.9625675723080305,102.41855869263179,0.25718616333926336,0.8959634344532721,0.8385857619049157,0.8798710984887119,0.5153693447639411,0.1729225193665358,0.925150088727734,0.3248596396117511,0.32274280453527604,0.48273669882719417 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004438943535277603 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), [-6.70072184e-07 -4.99999795e-01 -9.99994488e-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=5.779266872407246,0.4215415296217373,0.9628939866642021,102.49022109612066,0.7425056620335586,0.10365705803393932,0.1609728679824649,0.1201267357365301,0.48484235666666864,0.8267600572548282,0.0749005936943592,0.675150445845649,0.6774321086938804,0.5177307907279629 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 3.69654287e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.779266872407246,0.4215415296217373,0.9628939866642021,102.49022109612066,0.7425056620335586,0.10365705803393932,0.1609728679824649,0.1201267357365301,0.48484235666666864,0.8267600572548282,0.0749005936943592,0.675150445845649,0.6774321086938804,0.5177307907279629 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044391343424792585 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5407,0.4363889,1.038533,77.466,0.10354455,0.25772776,0.12009238,0.83936525,0.82652196,0.51491426,0.67512904,0.92512446,0.51798015,0.3224454 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.12924e+00 -9.97272e-06 -5.42439e+00] (Cartesian), [-6.11460013e-08 -4.12460591e-06 -9.99988938e-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=5.754158334382931,0.42019352733510623,0.9629116909380049,102.53396240743409,0.2577276999013458,0.8964665162392813,0.8393651851088435,0.8799186787551143,0.5149142032515719,0.17348910561499453,0.9251243961733271,0.3248820175717477,0.32244534382332635,0.48203091561110334 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.31099982e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.754158334382931,0.42019352733510623,0.9629116909380049,102.53396240743409,0.2577276999013458,0.8964665162392813,0.8393651851088435,0.8799186787551143,0.5149142032515719,0.17348910561499453,0.9251243961733271,0.3248820175717477,0.32244534382332635,0.48203091561110334 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004439084058979585 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), [-6.60432987e-07 -9.99977831e-01 -9.99992970e-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=5.727366966703305,0.41908318864041294,0.9628731237539279,102.56701204474568,0.25791530356239556,0.8964879228749256,0.8396463967532402,0.8799456513468951,0.5146848289239987,0.17367484928357024,0.925169422566164,0.3248965374083359,0.32235057239629583,0.4818450933878826 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.54930172e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.727366966703305,0.41908318864041294,0.9628731237539279,102.56701204474568,0.25791530356239556,0.8964879228749256,0.8396463967532402,0.8799456513468951,0.5146848289239987,0.17367484928357024,0.925169422566164,0.3248965374083359,0.32235057239629583,0.4818450933878826 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004438897543134708 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 -1.19736e-05 7.99044e-02] (Cartesian), [-9.99994383e-01 -5.02448102e-06 -5.14288259e-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=5.699122808439309,0.41814366356715343,0.9628298165158626,102.59343890029218,0.2580724887934074,0.8964680391690336,0.839891363047659,0.8799711626816995,0.5144851161991357,0.17382651789014014,0.9252286084826977,0.3249066248773418,0.32228246512431946,0.48169643683327257 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.89895309e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.699122808439309,0.41814366356715343,0.9628298165158626,102.59343890029218,0.2580724887934074,0.8964680391690336,0.839891363047659,0.8799711626816995,0.5144851161991357,0.17382651789014014,0.9252286084826977,0.3249066248773418,0.32228246512431946,0.48169643683327257 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004438615320529703 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): [-9.33390e-06 -1.18304e+00 -1.76622e-05] (Cartesian), [-2.30425460e-06 -4.99986534e-01 -3.34022986e-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=5.669573115799141,0.4173407197148737,0.962797520750982,102.61489402275245,0.7418112402471286,0.10356135758747476,0.1599090415856832,0.1199880676965388,0.48569901028772433,0.82603520437647,0.07471945684057602,0.6750746892495236,0.6777801651001911,0.5184148784068445 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.71382503e-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=5.669573115799141,0.4173407197148737,0.962797520750982,102.61489402275245,0.7418112402471286,0.10356135758747476,0.1599090415856832,0.1199880676965388,0.48569901028772433,0.82603520437647,0.07471945684057602,0.6750746892495236,0.6777801651001911,0.5184148784068445 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044382558569387815 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 0.0809421] (Cartesian), [-9.99990141e-01 -9.99982172e-01 -1.89554410e-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=5.638836791929292,0.4166518686386,0.9627794540210727,102.63235804764142,0.25828957195622415,0.8963890548988283,0.8402703661863722,0.8800510128196581,0.5141532320485258,0.1740745630660283,0.925343407358965,0.3249324584318558,0.3221798317782343,0.4814840829673508 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 6.28425974e-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=5.638836791929292,0.4166518686386,0.9627794540210727,102.63235804764142,0.25828957195622415,0.8963890548988283,0.8402703661863722,0.8800510128196581,0.5141532320485258,0.1740745630660283,0.925343407358965,0.3249324584318558,0.3221798317782343,0.4814840829673508 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044378319898981085 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 -1.04960e-05 8.11698e-02] (Cartesian), [-9.99997196e-01 -4.49920221e-06 -2.30524070e-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=5.607013554430803,0.41606070835608977,0.9627743952423158,102.6464112107089,0.2583536228025982,0.8963344026710653,0.8404073817113324,0.8801008048106003,0.5140160014912065,0.1741694665954059,0.9253907356949385,0.32493811950504004,0.32213440113593883,0.4813988996836911 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 9.92544224e-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=5.607013554430803,0.41606070835608977,0.9627743952423158,102.6464112107089,0.2583536228025982,0.8963344026710653,0.8404073817113324,0.8801008048106003,0.5140160014912065,0.1741694665954059,0.9253907356949385,0.32493811950504004,0.32213440113593883,0.4813988996836911 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004437353332185601 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): [ 1.09952e+00 -5.33700e-06 -5.25285e+00] (Cartesian), [ 3.02103187e-07 -2.30402744e-06 -9.99994812e-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=5.5741864061127595,0.4155545746753979,0.9627806736029532,102.65738569509988,0.258403478614071,0.8962789826492781,0.8405236093537469,0.8801644649307818,0.5139076399027904,0.1742535911937102,0.9254413827480088,0.32494363123955905,0.3221007467540411,0.4813280749995037 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 6.73523969e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.5741864061127595,0.4155545746753979,0.9627806736029532,102.65738569509988,0.258403478614071,0.8962789826492781,0.8405236093537469,0.8801644649307818,0.5139076399027904,0.1742535911937102,0.9254413827480088,0.32494363123955905,0.3221007467540411,0.4813280749995037 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00443682799365804 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): [-4.44655e+00 -9.57477e-06 -5.13992e+00] (Cartesian), [-9.99992654e-01 -4.16301280e-06 -9.99999079e-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=5.540429200755092,0.4151233807056564,0.9627955339178492,102.66555190837197,0.2584468901925978,0.8962091144119873,0.8406259641524871,0.8802275763763148,0.5138322792937018,0.174313594016672,0.9255003256171921,0.32493357949123114,0.32208233537446507,0.4812539828700777 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.89127566e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.540429200755092,0.4151233807056564,0.9627955339178492,102.66555190837197,0.2584468901925978,0.8962091144119873,0.8406259641524871,0.8802275763763148,0.5138322792937018,0.174313594016672,0.9255003256171921,0.32493357949123114,0.32208233537446507,0.4812539828700777 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044362717725813195 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 -2.74809e-06 -5.10753e+00] (Cartesian), [-9.99998984e-01 -1.20340833e-06 -9.99989025e-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=5.505799653771785,0.4147606396694478,0.9628101178474083,102.6704572883721,0.25846411962108173,0.8961482080041037,0.8406943517425565,0.8803159317914222,0.5137645206550707,0.17437666774371152,0.9255433286967882,0.32493284839423464,0.32205551324379456,0.48119536847826616 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 1.7691881e-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=5.505799653771785,0.4147606396694478,0.9628101178474083,102.6704572883721,0.25846411962108173,0.8961482080041037,0.8406943517425565,0.8803159317914222,0.5137645206550707,0.17437666774371152,0.9255433286967882,0.32493284839423464,0.32205551324379456,0.48119536847826616 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004435700393422373 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), [-0.9999875 -0.99997492 -0.99998948] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.470347979391529,0.4144611785676329,0.9628162219306011,102.67160492307613,0.25848901060589924,0.8960705961600106,0.8407624106649139,0.8804062654786851,0.513733174994109,0.17442087504772097,0.9256004690301012,0.3249176312560056,0.3220509735231434,0.4811226227318506 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -8.31368859e-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=5.470347979391529,0.4144611785676329,0.9628162219306011,102.67160492307613,0.25848901060589924,0.8960705961600106,0.8407624106649139,0.8804062654786851,0.513733174994109,0.17442087504772097,0.9256004690301012,0.3249176312560056,0.3220509735231434,0.4811226227318506 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004435114634416098 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): [-4.36108 -2.25089 -5.04115] (Cartesian), [-0.99999603 -0.99998205 -0.99999914] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.434111242063582,0.41422236552274544,0.9628072568068303,102.66897002377785,0.2584828894327882,0.8959761594082285,0.8407920409351395,0.8804995179230879,0.5137005411055546,0.17444366519331034,0.9256363313068214,0.32488983802778204,0.32203103300183766,0.48103719195893824 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 3.15376302e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.434111242063582,0.41422236552274544,0.9628072568068303,102.66897002377785,0.2584828894327882,0.8959761594082285,0.8407920409351395,0.8804995179230879,0.5137005411055546,0.17444366519331034,0.9256363313068214,0.32488983802778204,0.32203103300183766,0.48103719195893824 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004434527224606263 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): [-5.34563e-06 -2.23459e+00 -1.54063e-05] (Cartesian), [-1.59317185e-06 -9.99977840e-01 -3.05389560e-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=5.39708129363869,0.41404592561609765,0.9627896728160051,102.66305956448006,0.25846730828831244,0.8958774448003224,0.8408040363560119,0.8806125160114786,0.5136916016754824,0.17445960542325234,0.9256817294801165,0.32486476271050324,0.3220158255034862,0.4809541049567809 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 4.68511667e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.39708129363869,0.41404592561609765,0.9627896728160051,102.66305956448006,0.25846730828831244,0.8958774448003224,0.8408040363560119,0.8806125160114786,0.5136916016754824,0.17445960542325234,0.9256817294801165,0.32486476271050324,0.3220158255034862,0.4809541049567809 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004433921339824066 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 -6.83645e-06 -5.05017e+00] (Cartesian), [-1.07686399e-06 -3.08174102e-06 -9.99997023e-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=5.359288056733229,0.41393047509371667,0.9627416606767094,102.65430072164993,0.25843946938468587,0.8957753743388996,0.8408019508412683,0.8807403792879636,0.513711086452719,0.1744765015382539,0.9257487268553923,0.32484669636106167,0.3220125864097194,0.48089112148651525 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 9.06863729e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.359288056733229,0.41393047509371667,0.9627416606767094,102.65430072164993,0.25843946938468587,0.8957753743388996,0.8408019508412683,0.8807403792879636,0.513711086452719,0.1744765015382539,0.9257487268553923,0.32484669636106167,0.3220125864097194,0.48089112148651525 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044332807062202875 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), [-0.99999548 -0.49999624 -0.99998929] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3207132522060325,0.4138761964339738,0.9626605847250603,102.641661330109,0.7416109471908476,0.1043665792693842,0.1592221265181566,0.11915071741864569,0.48625011315875866,0.8255354972365603,0.07417229929246671,0.6751929089950619,0.6779894140559577,0.519176724122477 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.71345653e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.3207132522060325,0.4138761964339738,0.9626605847250603,102.641661330109,0.7416109471908476,0.1043665792693842,0.1592221265181566,0.11915071741864569,0.48625011315875866,0.8255354972365603,0.07417229929246671,0.6751929089950619,0.6779894140559577,0.519176724122477 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044326903273016 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 -1.05316e-05 7.52831e-02] (Cartesian), [-9.99990401e-01 -4.81806254e-06 -6.79558615e-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=5.281338044994427,0.413883350362028,0.9625519738922305,102.62400794714802,0.2583455601560529,0.8955008771230766,0.8407555502232809,0.8809820849184313,0.513827612165334,0.17446648791138553,0.925932898663576,0.3247912984028636,0.32202746497670853,0.4807956196780423 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 7.20065981e-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=5.281338044994427,0.413883350362028,0.9625519738922305,102.62400794714802,0.2583455601560529,0.8955008771230766,0.8407555502232809,0.8809820849184313,0.513827612165334,0.17446648791138553,0.925932898663576,0.3247912984028636,0.32202746497670853,0.4807956196780423 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00443219853353142 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 0.0736034] (Cartesian), [-9.99998552e-01 -5.00010325e-01 -1.92633456e-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=5.241106561020626,0.4139536517768347,0.9624413785395913,102.60141360715103,0.7417348548451903,0.1046450394075924,0.15931475909481518,0.11888739378566315,0.48610052333085774,0.8255486896239579,0.07397647720473444,0.6752342419736714,0.6779790205998175,0.5192230112073517 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -6.73747564e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.241106561020626,0.4139536517768347,0.9624413785395913,102.60141360715103,0.7417348548451903,0.1046450394075924,0.15931475909481518,0.11888739378566315,0.48610052333085774,0.8255486896239579,0.07397647720473444,0.6752342419736714,0.6779790205998175,0.5192230112073517 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431797270116299 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): [-2.36834e-06 -1.19842e-05 -5.70315e-06] (Cartesian), [-6.86309154e-07 -5.56562800e-06 -1.17427580e-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=5.199994171214163,0.4140874001284168,0.9623446117428301,102.57583262208774,0.25818718622924397,0.8952044722877788,0.8406072333377077,0.881239727346073,0.5140066466099815,0.1744216828812415,0.926130739679627,0.3247328356387926,0.3220320657217486,0.48075829326195785 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -6.47107053e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.199994171214163,0.4140874001284168,0.9623446117428301,102.57583262208774,0.25818718622924397,0.8952044722877788,0.8406072333377077,0.881239727346073,0.5140066466099815,0.1744216828812415,0.926130739679627,0.3247328356387926,0.3220320657217486,0.48075829326195785 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431488358665296 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): [-1.46255e-05 -6.04132e-06 -7.24916e-06] (Cartesian), [-3.13748368e-06 -2.82717410e-06 -1.53705733e-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=5.158060356421564,0.4142789507120125,0.9622583156424205,102.5479945144648,0.2580973757575249,0.8950620692241043,0.8405081020237968,0.8813673241460531,0.5141347203108095,0.1743873244281322,0.9262371803923934,0.32470139638892315,0.3220453631498963,0.4807437110007575 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 1.21452859e-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=5.158060356421564,0.4142789507120125,0.9622583156424205,102.5479945144648,0.2580973757575249,0.8950620692241043,0.8405081020237968,0.8813673241460531,0.5141347203108095,0.1743873244281322,0.9262371803923934,0.32470139638892315,0.3220453631498963,0.4807437110007575 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431256040648902 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), [-0.99999162 -0.49998409 -0.99999718] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.115435862174886,0.4144998613105532,0.9621881918313919,102.51893696810647,0.7420008890944114,0.10507212714027103,0.15960433057407952,0.11850890104470357,0.48572262335752137,0.8256526310763252,0.07365985782410167,0.6753315224281105,0.677941005054451,0.5192736959525184 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.51350313e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.115435862174886,0.4144998613105532,0.9621881918313919,102.51893696810647,0.7420008890944114,0.10507212714027103,0.15960433057407952,0.11850890104470357,0.48572262335752137,0.8256526310763252,0.07365985782410167,0.6753315224281105,0.677941005054451,0.5192736959525184 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431072930270007 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), [-0.99999688 -0.4999903 -0.99999611] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.072206498545209,0.41473485378331243,0.9621285221335212,102.48906948533262,0.7420930111858937,0.10519679386000824,0.15971411943083536,0.11838233333775383,0.4855542463452731,0.825695465779924,0.07354715574734705,0.6753667306672093,0.6779161783883971,0.5192952323782474 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -9.80920295e-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=5.072206498545209,0.41473485378331243,0.9621285221335212,102.48906948533262,0.7420930111858937,0.10519679386000824,0.15971411943083536,0.11838233333775383,0.4855542463452731,0.825695465779924,0.07354715574734705,0.6753667306672093,0.6779161783883971,0.5192952323782474 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430935771154975 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.8377,0.43134134,1.0394196,77.5415,0.1053072,0.25780852,0.11824785,0.84016629,0.82573629,0.51462688,0.67539996,0.92656324,0.5193153,0.32210678 --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), [-0.99999795 -0.99999848 -0.99999695] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.028408040449692,0.41498286291633996,0.9620772644955615,102.45854126159591,0.25781057182337963,0.8946958442018353,0.8401683354844067,0.8817552018154795,0.5146289265882555,0.17426676229168026,0.9265652921671244,0.32460309004682464,0.32210882899916315,0.48068775057291946 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.69944199e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.028408040449692,0.41498286291633996,0.9620772644955615,102.45854126159591,0.25781057182337963,0.8946958442018353,0.8401683354844067,0.8817552018154795,0.5146289265882555,0.17426676229168026,0.9265652921671244,0.32460309004682464,0.32210882899916315,0.48068775057291946 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044308452592525535 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): [-7.69580e-06 -4.34111e-07 -1.79582e-05] (Cartesian), [-2.29717858e-06 -2.09756167e-07 -3.85538164e-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=4.984078403684975,0.41524191697068596,0.962033792494623,102.4274296729365,0.25770096154484645,0.8945842368453429,0.8400343435817579,0.8818812230932132,0.5148166567416101,0.17421287689967913,0.9266679109301652,0.32455611712762833,0.322124534012201,0.4806542612611442 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -3.2454855e-17] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.984078403684975,0.41524191697068596,0.962033792494623,102.4274296729365,0.25770096154484645,0.8945842368453429,0.8400343435817579,0.8818812230932132,0.5148166567416101,0.17421287689967913,0.9266679109301652,0.32455611712762833,0.322124534012201,0.4806542612611442 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430798498789609 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): [-1.52921e-05 -2.05230e+00 -1.69598e-05] (Cartesian), [-3.81683367e-06 -9.99995510e-01 -3.69443840e-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=4.939257829483027,0.41550963427860377,0.9619973436843006,102.3957691925143,0.25759139754809546,0.8944893461134336,0.8398971502606618,0.8820165419475154,0.5150199704897356,0.17416430270397854,0.9267719019663074,0.3245133930177113,0.32214312807875967,0.48062511311840517 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 4.53159343e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.939257829483027,0.41550963427860377,0.9619973436843006,102.3957691925143,0.25759139754809546,0.8944893461134336,0.8398971502606618,0.8820165419475154,0.5150199704897356,0.17416430270397854,0.9267719019663074,0.3245133930177113,0.32214312807875967,0.48062511311840517 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044307856826746195 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): [-4.87572e-06 -1.01739e+00 -1.44906e-05] (Cartesian), [-1.61249692e-06 -4.99985430e-01 -3.16344618e-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=4.893985081704795,0.41578371443828205,0.9619686214078678,102.36361124212532,0.7425127971268455,0.10558968727243245,0.16023836411480508,0.11783814324833108,0.48475852963064625,0.8258792035261711,0.0731203195578709,0.6755254800718871,0.6778317559244929,0.5194016781704958 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -7.34353149e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.893985081704795,0.41578371443828205,0.9619686214078678,102.36361124212532,0.7425127971268455,0.10558968727243245,0.16023836411480508,0.11783814324833108,0.48475852963064625,0.8258792035261711,0.0731203195578709,0.6755254800718871,0.6778317559244929,0.5194016781704958 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430796073013068 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.6638,0.43252284,1.03956,77.6689,0.10567038,0.25737518,0.1176983,0.8396143,0.82593426,0.51546623,0.67557737,0.9269768,0.51944481,0.32218595 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 9.42950e-01 -1.79852e-06 -4.56748e+00] (Cartesian), [-3.60050682e-07 -8.91595477e-07 -9.99997950e-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=4.8482986051062325,0.4160620026522178,0.9619477014131841,102.33114285780562,0.257374824146936,0.8943316692873626,0.839613938195906,0.8823037521753543,0.5154658714645242,0.17406779066056322,0.9269764351059651,0.3244246783065372,0.3221855871078918,0.48055723890386526 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.45019443e-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=4.8482986051062325,0.4160620026522178,0.9619477014131841,102.33114285780562,0.257374824146936,0.8943316692873626,0.839613938195906,0.8823037521753543,0.5154658714645242,0.17406779066056322,0.9269764351059651,0.3244246783065372,0.3221855871078918,0.48055723890386526 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430826237114727 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): [-3.86919e+00 -6.27363e-06 -4.46978e+00] (Cartesian), [-9.99988375e-01 -3.13779574e-06 -9.99992075e-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=4.8022440941537425,0.4163417868024708,0.9619302197623224,102.2984242424453,0.2572760408695436,0.8942679117118237,0.8394764732950184,0.8824580963559345,0.5157141239401184,0.1740205149338525,0.9270836145494721,0.32437893299819365,0.32221624203198695,0.4805150188295517 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.86824389e-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=4.8022440941537425,0.4163417868024708,0.9619302197623224,102.2984242424453,0.2572760408695436,0.8942679117118237,0.8394764732950184,0.8824580963559345,0.5157141239401184,0.1740205149338525,0.9270836145494721,0.32437893299819365,0.32221624203198695,0.4805150188295517 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044308759626638106 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.5747,0.4331213,1.0396092,77.7344,0.10580167,0.25715263,0.11739583,0.83931171,0.8260425,0.515949,0.67568375,0.92716547,0.51954759,0.32222201 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 9.22384e-01 -2.58786e-06 -4.48073e+00] (Cartesian), [-9.71797601e-07 -1.30608333e-06 -9.99989794e-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=4.755867457977432,0.4166200335048478,0.9619131946342218,102.26559370243551,0.25715165763519865,0.8942085409766076,0.8393107421712938,0.8826143795340569,0.5159480235005476,0.17396770979000786,0.9271644935885686,0.3243264538746149,0.32222103973742056,0.4804626134664378 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.33733767e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.755867457977432,0.4166200335048478,0.9619131946342218,102.26559370243551,0.25715165763519865,0.8942085409766076,0.8393107421712938,0.8826143795340569,0.5159480235005476,0.17396770979000786,0.9271644935885686,0.3243264538746149,0.32222103973742056,0.4804626134664378 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430953029982497 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.5298,0.43339662,1.0396044,77.7673,0.10585513,0.2570398,0.11723644,0.83915508,0.82609854,0.51620563,0.67574187,0.92725909,0.51960657,0.32223743 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.88293e-06 -1.96319e+00 -1.09005e-05] (Cartesian), [-7.61457542e-08 -9.99973881e-01 -2.45759959e-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=4.709201818090822,0.41689469969616744,0.9618972812320842,102.23270657025398,0.2570397271932141,0.8941424139346115,0.8391550003137112,0.8827611067837515,0.5162055584104983,0.1738990067018218,0.927259011770508,0.3242556728307928,0.32223734963541495,0.4803909674857736 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.66249397e-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=4.709201818090822,0.41689469969616744,0.9618972812320842,102.23270657025398,0.2570397271932141,0.8941424139346115,0.8391550003137112,0.8827611067837515,0.5162055584104983,0.1738990067018218,0.927259011770508,0.3242556728307928,0.32223734963541495,0.4803909674857736 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431077252727446 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), [-7.63506785e-07 -9.99973358e-01 -9.99991221e-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=4.6622834683741505,0.4171650714929708,0.9618747974535474,102.19923031356656,0.2569264642848643,0.8941097435485608,0.8389959344880897,0.8829351112229094,0.5164700564896556,0.17385529548008272,0.9273499577371527,0.32420608326685585,0.32225138032719336,0.4803403094929912 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -5.31715142e-20] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.6622834683741505,0.4171650714929708,0.9618747974535474,102.19923031356656,0.2569264642848643,0.8941097435485608,0.8389959344880897,0.8829351112229094,0.5164700564896556,0.17385529548008272,0.9273499577371527,0.32420608326685585,0.32225138032719336,0.4803403094929912 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004431293694147661 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.439,0.43399414,1.0396711,77.8353,0.10592997,0.25681667,0.11690609,0.83883791,0.82620837,0.51674063,0.67586383,0.92743759,0.5197362,0.32226518 --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), [-0.9999873 -0.99999412 -0.99998911] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.615142777877903,0.4174326617651121,0.9618409837637388,102.16473069851487,0.25682937060054956,0.8940809202280016,0.8388506018432205,0.8831047995561547,0.5167533223071736,0.17380251278615466,0.9274502827048874,0.32414706154905115,0.3222778724872115,0.4802746843819661 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.04372815e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.615142777877903,0.4174326617651121,0.9618409837637388,102.16473069851487,0.25682937060054956,0.8940809202280016,0.8388506018432205,0.8831047995561547,0.5167533223071736,0.17380251278615466,0.9274502827048874,0.32414706154905115,0.3222778724872115,0.4802746843819661 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004430432583461253 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.3933,0.43429768,1.0397196,77.8702,0.10594422,0.25671033,0.11673698,0.83868208,0.82626385,0.5170078,0.67592468,0.92751914,0.51981014,0.32227716 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.56757e+00 -6.09697e-06 4.50180e-02] (Cartesian), [-9.99995667e-01 -3.19551779e-06 -2.23045495e-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=4.567811842406012,0.41770013202947975,0.961793284699269,102.12980893759801,0.2567146666752831,0.894055557602726,0.8386864177057907,0.8832627923827814,0.517012137527054,0.17373592703748653,0.9275234742334142,0.3240750998379971,0.32228149004097384,0.4801896328799693 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 6.99187891e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.567811842406012,0.41770013202947975,0.961793284699269,102.12980893759801,0.2567146666752831,0.894055557602726,0.8386864177057907,0.8832627923827814,0.517012137527054,0.17373592703748653,0.9275234742334142,0.3240750998379971,0.32228149004097384,0.4801896328799693 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004428318318130416 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.3473,0.43461459,1.0397948,77.905,0.10594293,0.25660909,0.11657189,0.83853317,0.82632007,0.51726989,0.67598319,0.92759898,0.51988908,0.32229058 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.52009e+00 -1.03782e-05 4.31400e-02] (Cartesian), [-9.99995280e-01 -5.49297554e-06 -7.95767303e-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=4.520317922529489,0.41797026814080807,0.9617214159106827,102.09504687270433,0.25661381490474144,0.8940562736285111,0.8385378867381743,0.8834273143340754,0.5172746125832139,0.1736791363705681,0.9276036997171433,0.3240160165084731,0.3222952954895122,0.48011012766067673 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.26874488e-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=4.520317922529489,0.41797026814080807,0.9617214159106827,102.09504687270433,0.25661381490474144,0.8940562736285111,0.8385378867381743,0.8834273143340754,0.5172746125832139,0.1736791363705681,0.9276036997171433,0.3240160165084731,0.3222952954895122,0.48011012766067673 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004426330890150166 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.301,0.43494536,1.0399209,77.9411,0.10592633,0.25650819,0.11641419,0.83839174,0.82637555,0.51753025,0.67603665,0.92768154,0.51997076,0.3223042 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-3.77929e-06 -5.22504e-06 -1.32024e-05] (Cartesian), [-1.44996122e-06 -2.79312471e-06 -3.14705018e-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=4.47268866979373,0.4182448704330931,0.9616061279882764,102.05893223584961,0.25650673894023823,0.8940705186685178,0.8383902936106611,0.8835826600770522,0.5175288045774249,0.1736212996101676,0.9276800904292672,0.323960203766545,0.32230275298168465,0.4800260955471298 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.98977768e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.47268866979373,0.4182448704330931,0.9616061279882764,102.05893223584961,0.25650673894023823,0.8940705186685178,0.8383902936106611,0.8835826600770522,0.5175288045774249,0.1736212996101676,0.9276800904292672,0.323960203766545,0.32230275298168465,0.4800260955471298 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004424488395839562 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.2543,0.43532426,1.0401006,77.9796,0.10589434,0.25640502,0.11626957,0.83825741,0.82643022,0.51778833,0.67608268,0.92777067,0.52004885,0.32232077 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 8.49085e-01 -1.20842e-05 -4.16870e+00] (Cartesian), [-1.11040764e-07 -6.52511631e-06 -9.99995888e-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=4.424890199522337,0.41853053500940385,0.9614498767247603,102.02039517950642,0.256404905745766,0.8941097722777558,0.8382572957201131,0.8837345386257631,0.5177882153690481,0.17357388884198288,0.9277705580371565,0.3239214359147713,0.32232065531101295,0.4799552617750593 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.90053476e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.424890199522337,0.41853053500940385,0.9614498767247603,102.02039517950642,0.256404905745766,0.8941097722777558,0.8382572957201131,0.8837345386257631,0.5177882153690481,0.17357388884198288,0.9277705580371565,0.3239214359147713,0.32232065531101295,0.4799552617750593 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004422826840822063 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.2073,0.43571887,1.0403109,78.0211,0.10584417,0.25629838,0.11614661,0.83813116,0.82648422,0.51804408,0.67611883,0.92786808,0.52011952,0.32234282 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-8.50429e-06 -1.83320e+00 -1.75491e-05] (Cartesian), [-2.76311040e-06 -9.99993725e-01 -4.28137273e-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=4.37687630873353,0.41884014406823655,0.9612455869607093,101.97892680613543,0.256295617898592,0.894151552115722,0.8381283978579801,0.8838491058023932,0.5180413188616317,0.1735114944307583,0.9278653152446887,0.3238768860183876,0.32234005828612156,0.47987619804773063 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.41121423e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.37687630873353,0.41884014406823655,0.9612455869607093,101.97892680613543,0.256295617898592,0.894151552115722,0.8381283978579801,0.8838491058023932,0.5180413188616317,0.1735114944307583,0.9278653152446887,0.3238768860183876,0.32234005828612156,0.47987619804773063 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00442138706472619 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.1597,0.43620934,1.0406039,78.0659,0.10577175,0.25618727,0.11605282,0.83801381,0.8265374,0.51829826,0.6761438,0.92797577,0.52017927,0.32237273 --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), [ 2.45341766e-07 -5.00001932e-01 -9.99999083e-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=4.32859436764875,0.4191880398720039,0.9609820734640776,101.93405167881934,0.7438129802256461,0.10577266296456589,0.16198643497247844,0.11605373818870612,0.4817019885557783,0.8265383122465173,0.07202447995616357,0.676144714060988,0.6776275195786963,0.5201801894621387 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.08007749e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.32859436764875,0.4191880398720039,0.9609820734640776,101.93405167881934,0.7438129802256461,0.10577266296456589,0.16198643497247844,0.11605373818870612,0.4817019885557783,0.8265383122465173,0.07202447995616357,0.676144714060988,0.6776275195786963,0.5201801894621387 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004420212233118058 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.1116,0.43676428,1.0409573,78.1147,0.10567267,0.25607052,0.11599561,0.83790693,0.82658932,0.51855114,0.67615622,0.92809589,0.52022508,0.32241253 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.27987 -0.897897 0.0325047] (Cartesian), [-9.99998230e-01 -4.99995003e-01 -9.27549508e-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=4.28000179232588,0.41958205509153856,0.9606484714855406,101.88527679485945,0.7439312549590984,0.10567173843662792,0.16209483657143497,0.11599467910520422,0.4814506286694231,0.8265883894061692,0.07190587574203056,0.676155295942702,0.6775892411667108,0.5202241530411729 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 3.22787632e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.28000179232588,0.41958205509153856,0.9606484714855406,101.88527679485945,0.7439312549590984,0.10567173843662792,0.16209483657143497,0.11599467910520422,0.4814506286694231,0.8265883894061692,0.07190587574203056,0.676155295942702,0.6775892411667108,0.5202241530411729 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044193539409583945 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.0628,0.43743231,1.0414,78.1681,0.10554047,0.25594672,0.11598436,0.83781221,0.82663954,0.51880375,0.67615483,0.9282306,0.52025343,0.3224649 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.23087 -0.888607 0.0299704] (Cartesian), [-9.99982670e-01 -5.00011379e-01 -3.16324979e-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=4.231049737870787,0.4200313553574997,0.9602291604463118,101.83190671065415,0.7440706071528984,0.1055401563295757,0.1622051237851121,0.11598404638038518,0.4812135816363001,0.8266392200155968,0.07178673381008638,0.6761545150017034,0.6775524320418125,0.5202531154172918 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.13830666e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.231049737870787,0.4200313553574997,0.9602291604463118,101.83190671065415,0.7440706071528984,0.1055401563295757,0.1622051237851121,0.11598404638038518,0.4812135816363001,0.8266392200155968,0.07178673381008638,0.6761545150017034,0.6775524320418125,0.5202531154172918 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004418876963995056 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.0132,0.43820393,1.0419864,78.227,0.10536638,0.25581415,0.11603083,0.83773169,0.82668728,0.51905765,0.67613851,0.92838226,0.52026043,0.32253299 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.96399e-06 -2.41674e-06 -9.18596e-06] (Cartesian), [-1.87164447e-06 -1.37424842e-06 -2.34797309e-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=4.181684105393988,0.4205459572296997,0.9597033862673695,101.77302387489677,0.2558122815173678,0.8946312731016031,0.8377298220298732,0.8839668211280709,0.5190557756420255,0.17331037372893765,0.9283803931606451,0.3238591395760564,0.3225311176351342,0.4797372226855392 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.000000e+00 0.000000e+00 2.261228e-17] [ 0.000000e+00 -1.000000e+00 0.000000e+00] [ 0.000000e+00 0.000000e+00 1.000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.181684105393988,0.4205459572296997,0.9597033862673695,101.77302387489677,0.2558122815173678,0.8946312731016031,0.8377298220298732,0.8839668211280709,0.5190557756420255,0.17331037372893765,0.9283803931606451,0.3238591395760564,0.3225311176351342,0.4797372226855392 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004418866355833012 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.9626,0.43913087,1.0426992,78.2927,0.1051383,0.25566985,0.11615058,0.83766748,0.82673149,0.51931565,0.67610653,0.92855398,0.52024118,0.32262111 --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), [-0.99998708 -0.50001013 -0.9999933 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.131839748925187,0.42113849176339513,0.959043395187838,101.7073042017688,0.7443430727654938,0.105144992861947,0.16234543823518366,0.11615727469107773,0.4806972639626639,0.8267381858971847,0.07145893516743085,0.6761132320661671,0.6773918063198328,0.5202478752724737 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.29606122e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.131839748925187,0.42113849176339513,0.959043395187838,101.7073042017688,0.7443430727654938,0.105144992861947,0.16234543823518366,0.11615727469107773,0.4806972639626639,0.8267381858971847,0.07145893516743085,0.6761132320661671,0.6773918063198328,0.5202478752724737 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004419435364439917 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.9109,0.44023115,1.0435961,78.3675,0.10483939,0.25550845,0.11636493,0.83762166,0.82677138,0.5195827,0.67605837,0.92874931,0.52019051,0.32273577 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-4.08133 -0.860861 0.0209147] (Cartesian), [-9.99986647e-01 -5.00019168e-01 -3.53489851e-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=4.081438365493939,0.4218257983545536,0.9582077727183358,101.63247677186646,0.7445048998063966,0.10483903370606473,0.1623916937763108,0.11636457547130563,0.48043065615006153,0.8267710301693891,0.0712640450233657,0.6760580118057682,0.6772775817314929,0.5201901613416182 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -8.53792986e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.081438365493939,0.4218257983545536,0.9582077727183358,101.63247677186646,0.7445048998063966,0.10483903370606473,0.1623916937763108,0.11636457547130563,0.48043065615006153,0.8267710301693891,0.0712640450233657,0.6760580118057682,0.6772775817314929,0.5201901613416182 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0044207369302092705 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=3.8577,0.44155844,1.0447676,78.4544,0.10444555,0.25531836,0.11670566,0.83759353,0.82680789,0.51986934,0.67599578,0.92897723,0.52009784,0.32288598 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.32328e-06 -8.96395e-06 -1.78348e-05] (Cartesian), [-3.20038171e-06 -5.26249778e-06 -4.72915394e-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=4.03037458622542,0.4226317186517168,0.9571451357889277,101.54563820876233,0.255315159728416,0.8955497189060464,0.8375903321498392,0.883289613816554,0.5198661403424758,0.1731873781650486,0.9289740328366005,0.32399949110708337,0.3228827826367082,0.479897426598499 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.67808581e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=4.03037458622542,0.4226317186517168,0.9571451357889277,101.54563820876233,0.255315159728416,0.8955497189060464,0.8375903321498392,0.883289613816554,0.5198661403424758,0.1731873781650486,0.9289740328366005,0.32399949110708337,0.3228827826367082,0.479897426598499 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 0.004299068689284568 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=6.350699323856416,0.4303518687222431,0.933477144032399,101.34258274759601,0.7366015140297972,0.11722401099223512,0.17359712925719273,0.10962002569145857,0.4798227527212302,0.8326844589968212,0.07360006602177682,0.6814411877290731,0.6781301525001677,0.512455581183203 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -5.54543133e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.350699323856416,0.4303518687222431,0.933477144032399,101.34258274759601,0.7366015140297972,0.11722401099223512,0.17359712925719273,0.10962002569145857,0.4798227527212302,0.8326844589968212,0.07360006602177682,0.6814411877290731,0.6781301525001677,0.512455581183203 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004296351946985509 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), [-9.99993413e-01 -5.00001880e-01 -2.06514988e-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=6.357032334706321,0.4301047371618928,0.9339385692537945,101.36699662431396,0.7365309801289537,0.11720925259535431,0.17374823548230922,0.10933579281287087,0.47971679872944684,0.8327486144681879,0.07359910849378726,0.6816040446192146,0.6782108216245804,0.5125563072510926 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 6.59274894e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.357032334706321,0.4301047371618928,0.9339385692537945,101.36699662431396,0.7365309801289537,0.11720925259535431,0.17374823548230922,0.10933579281287087,0.47971679872944684,0.8327486144681879,0.07359910849378726,0.6816040446192146,0.6782108216245804,0.5125563072510926 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004293594953191739 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9459,0.4600481,1.0702333,78.6096,0.11720893,0.2635542,0.10905984,0.82611041,0.83282204,0.52040165,0.6817755,0.92641142,0.51266103,0.32172059 --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), [-1.38608536e-06 -5.00001073e-01 -9.99990469e-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=6.363463839655895,0.4298593031570789,0.9343875082614335,101.39043448796657,0.736444410243942,0.11721846230554744,0.1738882078172539,0.10906937569399666,0.47959696748233727,0.8328315680487044,0.0735871893994291,0.6817850286677754,0.6782780215473672,0.5126705606885777 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.84341701e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.363463839655895,0.4298593031570789,0.9343875082614335,101.39043448796657,0.736444410243942,0.11721846230554744,0.1738882078172539,0.10906937569399666,0.47959696748233727,0.8328315680487044,0.0735871893994291,0.6817850286677754,0.6782780215473672,0.5126705606885777 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042907968376714265 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 -1.21597e-05 -5.83311e+00] (Cartesian), [-9.99999531e-01 -4.44327695e-06 -9.99996798e-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=6.370003266238887,0.42961538065103977,0.9348219002660025,101.41294921990264,0.26363551045888567,0.88278860351374,0.8259598525708194,0.89121950610898,0.5205143742196299,0.16710714075435185,0.9264128990200375,0.31805633469278005,0.3216455912074785,0.48724203956931755 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.20752623e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.370003266238887,0.42961538065103977,0.9348219002660025,101.41294921990264,0.26363551045888567,0.88278860351374,0.8259598525708194,0.89121950610898,0.5205143742196299,0.16710714075435185,0.9264128990200375,0.31805633469278005,0.3216455912074785,0.48724203956931755 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004287955017604819 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9637,0.45911095,1.0692355,78.5656,0.11722672,0.26371778,0.10850733,0.82580525,0.83297098,0.52062677,0.68211838,0.92641051,0.5128568,0.32156944 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.20010e+00 -9.19851e-06 -5.84017e+00] (Cartesian), [-9.99989666e-01 -3.35961786e-06 -9.99995822e-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=6.376648205204918,0.4293734090967884,0.9352427057794788,101.43439438635065,0.2637281154627189,0.8827774595124938,0.8258155800352776,0.8914968529804739,0.520637100838309,0.16703319662072058,0.9264208411381856,0.3178857941209974,0.32157977819027406,0.48714738308428207 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.38842313e-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=6.376648205204918,0.4293734090967884,0.9352427057794788,101.43439438635065,0.2637281154627189,0.8827774595124938,0.8258155800352776,0.8914968529804739,0.520637100838309,0.16703319662072058,0.9264208411381856,0.3178857941209974,0.32157977819027406,0.48714738308428207 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004285069631491469 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=6.383410726516111,0.4291326830360337,0.9356480874009488,101.45495703515289,0.7362000466442233,0.1172517065928309,0.1743550127772262,0.10823774596133884,0.4792623822567068,0.8330535004599857,0.07359744311232141,0.682296837125898,0.6785092238141877,0.5129548143038081 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.38194459e-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=6.383410726516111,0.4291326830360337,0.9356480874009488,101.45495703515289,0.7362000466442233,0.1172517065928309,0.1743550127772262,0.10823774596133884,0.4792623822567068,0.8330535004599857,0.07359744311232141,0.682296837125898,0.6785092238141877,0.5129548143038081 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004282138165475841 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9816,0.45820516,1.0683262,78.5254,0.11726929,0.26388953,0.10795432,0.8254869,0.83312338,0.52085522,0.68246207,0.9263971,0.513035,0.32141757 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.03933e-06 -1.17345e-05 -1.23327e-05] (Cartesian), [-7.08217465e-07 -4.28148753e-06 -2.10432889e-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=6.390288945173437,0.4288934460669538,0.9360397190254126,101.47455639884934,0.2638888246339657,0.882728602250133,0.8254861872444612,0.8920435796162094,0.5208545083171161,0.1668745189432994,0.926396390133635,0.31753582742930964,0.3214168658658143,0.4869628999750568 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.93155302e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.390288945173437,0.4288934460669538,0.9360397190254126,101.47455639884934,0.2638888246339657,0.882728602250133,0.8254861872444612,0.8920435796162094,0.5208545083171161,0.1668745189432994,0.926396390133635,0.31753582742930964,0.3214168658658143,0.4869628999750568 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004279158417924858 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), [-1.02998227e-07 -9.99984810e-01 -9.99992376e-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=6.397287083155644,0.42865540028494237,0.9364179171219617,101.49317449663997,0.2639779363777621,0.8827079974802547,0.825322368176526,0.8923304918455335,0.5209712939643736,0.16680672879844982,0.9263855253279929,0.31737314339704015,0.3213413382915953,0.48688986129269973 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -3.3836972e-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=6.397287083155644,0.42865540028494237,0.9364179171219617,101.49317449663997,0.2639779363777621,0.8827079974802547,0.825322368176526,0.8923304918455335,0.5209712939643736,0.16680672879844982,0.9263855253279929,0.31737314339704015,0.3213413382915953,0.48688986129269973 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042761292485225515 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=5.9995,0.45733811,1.067489,78.4891,0.11733528,0.26406782,0.10739961,0.82515407,0.83327931,0.52108966,0.68280768,0.9263711,0.51319645,0.32126521 --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), [-0.99999775 -0.50000985 -0.9999901 ] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.404407786041449,0.42841836743103234,0.9367837660649846,101.51085558808487,0.735934435418518,0.1173451752494854,0.17484818081943,0.10740950667604032,0.47891259242010786,0.8332892009328425,0.07363114617067223,0.6828175746730971,0.6787370440149367,0.5132063443426373 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -9.91633711e-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=6.404407786041449,0.42841836743103234,0.9367837660649846,101.51085558808487,0.735934435418518,0.1173451752494854,0.17484818081943,0.10740950667604032,0.47891259242010786,0.8332892009328425,0.07363114617067223,0.6828175746730971,0.6787370440149367,0.5132063443426373 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004273046811111401 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0086,0.45691176,1.0670872,78.4723,0.11737691,0.26415909,0.10712051,0.82498208,0.83335861,0.52120975,0.68298138,0.92635332,0.51327152,0.32118888 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.18891 -1.37271 -5.8898 ] (Cartesian), [-1.75881845e-06 -5.00011686e-01 -9.99998512e-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=6.411653248881338,0.42818220638686677,0.9371388392248632,101.52765581601619,0.7358391472499664,0.1173783989610877,0.1750161618423074,0.10712199260113353,0.4787884909693174,0.8333600941398371,0.07364491917947502,0.6829828687286428,0.6788093584157138,0.5132730074539249 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -4.99010909e-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=6.411653248881338,0.42818220638686677,0.9371388392248632,101.52765581601619,0.7358391472499664,0.1173783989610877,0.1750161618423074,0.10712199260113353,0.4787884909693174,0.8333600941398371,0.07364491917947502,0.6829828687286428,0.6788093584157138,0.5132730074539249 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004269910039043013 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0177,0.4564867,1.0666866,78.4564,0.11742378,0.26425144,0.10684019,0.82480597,0.83343878,0.5213324,0.68315602,0.92633235,0.51334298,0.32111249 --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=6.41902832607712,0.4279465861627308,0.9374834865001094,101.54356500305545,0.7357558997406355,0.11743224142408426,0.1752013656173268,0.10684865532980248,0.4786749378469217,0.8334472468704213,0.07367498685105889,0.6831644901460252,0.6788948492164066,0.513351446777266 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.29898682e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.41902832607712,0.4279465861627308,0.9374834865001094,101.54356500305545,0.7357558997406355,0.11743224142408426,0.1752013656173268,0.10684865532980248,0.4786749378469217,0.8334472468704213,0.07367498685105889,0.6831644901460252,0.6788948492164066,0.513351446777266 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004266716430533483 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0269,0.45607194,1.0663027,78.4414,0.11747563,0.26434462,0.1065583,0.82462553,0.8335198,0.52145802,0.68333181,0.92630823,0.51341106,0.321036 --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 -0.4999997 -0.99999419] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.426537178911346,0.42771115812135974,0.9378189580422049,101.55862200713291,0.7356631143954147,0.11748143498622099,0.17538219616472128,0.10656411073221506,0.4785497135605936,0.8335256102914994,0.07369950124053126,0.6833376212407645,0.6789717334828249,0.5134168704530797 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.05206386e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.426537178911346,0.42771115812135974,0.9378189580422049,101.55862200713291,0.7356631143954147,0.11748143498622099,0.17538219616472128,0.10656411073221506,0.4785497135605936,0.8335256102914994,0.07369950124053126,0.6833376212407645,0.6789717334828249,0.5134168704530797 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004263462329560442 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0362,0.45566747,1.0659355,78.4272,0.1175329,0.26443847,0.106274,0.82444081,0.83360165,0.52158679,0.68350863,0.92628088,0.51347616,0.32095944 --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), [-6.87206170e-07 -5.00011344e-01 -9.99998211e-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=6.4341816357809085,0.4274759015244142,0.9381467650295129,101.57283527498383,0.7355608430700955,0.11753469285180285,0.175558505840536,0.10627578818532424,0.4784125231605443,0.8336034422964056,0.07371843740241069,0.6835104207572278,0.6790398697937627,0.5134779535648966 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -3.44890947e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4341816357809085,0.4274759015244142,0.9381467650295129,101.57283527498383,0.7355608430700955,0.11753469285180285,0.175558505840536,0.10627578818532424,0.4784125231605443,0.8336034422964056,0.07371843740241069,0.6835104207572278,0.6790398697937627,0.5134779535648966 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004260146938806236 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0456,0.45525672,1.0655683,78.4137,0.11759442,0.26453264,0.10598794,0.82425105,0.83368431,0.52171957,0.6836872,0.92625039,0.51353807,0.32088279 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-9.16983e-06 -1.37616e+00 -8.20951e-06] (Cartesian), [-1.68209781e-06 -5.00009429e-01 -1.39030711e-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=6.4419717602075295,0.42724001302488457,0.9384668513814408,101.58625423822537,0.7354656755786011,0.11759302928211568,0.17574726444912891,0.1059865522707728,0.4782787481547044,0.8336829190231048,0.07374792782520578,0.683685812091698,0.6791155309214587,0.5135366816937492 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.70256168e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4419717602075295,0.42724001302488457,0.9384668513814408,101.58625423822537,0.7354656755786011,0.11759302928211568,0.17574726444912891,0.1059865522707728,0.4782787481547044,0.8336829190231048,0.07374792782520578,0.683685812091698,0.6791155309214587,0.5135366816937492 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004256765792373374 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0551,0.45483972,1.0652012,78.4011,0.11766057,0.26462702,0.10569931,0.82405623,0.83376772,0.52185659,0.68386748,0.92621667,0.51359715,0.32080603 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.44987 -1.37704 0.0181264] (Cartesian), [-9.99997845e-01 -4.99990280e-01 -1.44223923e-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=6.4499111274412115,0.42700333168110444,0.9387805058832872,101.59886863783944,0.7353751341501398,0.11765913133749062,0.17594592833531975,0.10569786343378529,0.4781455649522679,0.833766275772253,0.07378548485939795,0.6838660356515907,0.6791961287839201,0.5135957062290233 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.40902223e-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=6.4499111274412115,0.42700333168110444,0.9387805058832872,101.59886863783944,0.7353751341501398,0.11765913133749062,0.17594592833531975,0.10569786343378529,0.4781455649522679,0.833766275772253,0.07378548485939795,0.6838660356515907,0.6791961287839201,0.5135957062290233 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00425331604804289 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0646,0.45445701,1.0648683,78.3893,0.11773133,0.26472129,0.10540771,0.82385603,0.83385182,0.52199834,0.68404966,0.92617972,0.51365352,0.32072915 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.25492 -1.37806 -5.92502] (Cartesian), [-0.99999739 -0.50001195 -0.99999068] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.45800594263052,0.4267655026430377,0.939088623350927,101.61068549502532,0.7352813254838664,0.11774064148852204,0.17614658772641745,0.10541702901339578,0.4780042724747706,0.8338611370768456,0.07382289573156364,0.6840589732078544,0.6792734617456699,0.5136628323504691 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -5.63957758e-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=6.45800594263052,0.4267655026430377,0.939088623350927,101.61068549502532,0.7352813254838664,0.11774064148852204,0.17614658772641745,0.10541702901339578,0.4780042724747706,0.8338611370768456,0.07382289573156364,0.6840589732078544,0.6792734617456699,0.5136628323504691 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004249794038761151 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0744,0.45403661,1.0645167,78.3783,0.11780671,0.26481513,0.10511275,0.8236501,0.83393654,0.52214535,0.68423396,0.92613951,0.51370733,0.32065214 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.28676e-05 -1.37899e+00 -1.75277e-05] (Cartesian), [-2.54034796e-06 -4.99990906e-01 -2.95256049e-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=6.466263019860928,0.42652613320191207,0.9393920128686113,101.621694694466,0.7351823249222766,0.11780375699898138,0.17634735499650822,0.10510979755100247,0.4778521083614522,0.8339335828524224,0.07385795412033769,0.6842310030844603,0.6793453182131546,0.5137043756226745 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.22854295e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.466263019860928,0.42652613320191207,0.9393920128686113,101.621694694466,0.7351823249222766,0.11780375699898138,0.17634735499650822,0.10510979755100247,0.4778521083614522,0.8339335828524224,0.07385795412033769,0.6842310030844603,0.6793453182131546,0.5137043756226745 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004246195828709926 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0842,0.45365044,1.0641826,78.3681,0.11788679,0.26490827,0.10481399,0.8234381,0.83402177,0.52229817,0.68442058,0.926096,0.51375869,0.32057498 --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), [-1.64815263e-07 -5.00010525e-01 -9.99997570e-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=6.474690458038405,0.42628476543690197,0.9396913085643923,101.63188115565623,0.735091567384687,0.11788921913730155,0.1765617389966445,0.10481642390798873,0.47770166740407416,0.8340242021508879,0.07390383921346766,0.6844230115768721,0.6794248557266658,0.5137611224757836 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.88536008e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.474690458038405,0.42628476543690197,0.9396913085643923,101.63188115565623,0.735091567384687,0.11788921913730155,0.1765617389966445,0.10481642390798873,0.47770166740407416,0.8340242021508879,0.07390383921346766,0.6844230115768721,0.6794248557266658,0.5137611224757836 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004242517123284025 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.0942,0.45323422,1.0638476,78.3588,0.11797186,0.26500034,0.10451076,0.82321968,0.83410739,0.52245733,0.68460966,0.92604916,0.51380779,0.32049766 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.20992 -2.76209 -5.97288] (Cartesian), [ 1.28745576e-07 -9.99978324e-01 -9.99996252e-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=6.483296123881936,0.4260409858073843,0.9399874183025094,101.641230317092,0.2650004652539959,0.8820318886494056,0.8232198079664563,0.8954929847184925,0.5224574593734881,0.16589635474279696,0.9260492839472019,0.31539408388153234,0.3204977857268443,0.48619595492512113 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.94277139e-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=6.483296123881936,0.4260409858073843,0.9399874183025094,101.641230317092,0.2650004652539959,0.8820318886494056,0.8232198079664563,0.8954929847184925,0.5224574593734881,0.16589635474279696,0.9260492839472019,0.31539408388153234,0.3204977857268443,0.48619595492512113 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004238753264715891 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1044,0.4528373,1.0635116,78.3503,0.11806189,0.26509088,0.10420288,0.82299425,0.83419324,0.52262365,0.68480164,0.92599895,0.51385465,0.32042006 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.40348e-06 -1.38215e+00 -4.45480e-06] (Cartesian), [-5.09602753e-07 -5.00001057e-01 -7.46489524e-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=6.492091317082519,0.4257940961260892,0.9402805171881141,101.64967462005008,0.7349086113784147,0.11806113904209936,0.17700524190823197,0.10420213565235148,0.4773758364627052,0.8341924933019886,0.0740005439174547,0.6848008942010271,0.6795794334802678,0.5138539023811108 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.30235424e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.492091317082519,0.4257940961260892,0.9402805171881141,101.64967462005008,0.7349086113784147,0.11806113904209936,0.17700524190823197,0.10420213565235148,0.4773758364627052,0.8341924933019886,0.0740005439174547,0.6848008942010271,0.6795794334802678,0.5138539023811108 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004234898278484295 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1147,0.4524343,1.063192,78.3429,0.11815769,0.26517933,0.10388938,0.82276147,0.83427897,0.52279785,0.68499655,0.92594531,0.51389962,0.32034211 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.21443 -1.38325 -5.99287] (Cartesian), [-5.36015110e-07 -5.00000897e-01 -9.99991499e-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=6.501086555416949,0.4255434860828653,0.9405711231258649,101.6571035743774,0.7348201369192049,0.11816619455475097,0.17723799711868704,0.10389787808440953,0.47720161134788697,0.8342874741016764,0.07405415507371749,0.6850050537461407,0.6796573525078409,0.5139081237937617 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 5.0043618e-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=6.501086555416949,0.4255434860828653,0.9405711231258649,101.6571035743774,0.7348201369192049,0.11816619455475097,0.17723799711868704,0.10389787808440953,0.47720161134788697,0.8342874741016764,0.07405415507371749,0.6850050537461407,0.6796573525078409,0.5139081237937617 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0042309488205738675 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1253,0.45202684,1.0628541,78.3364,0.11825885,0.2652653,0.10356982,0.82252065,0.83436468,0.52298066,0.68519484,0.92588834,0.51394239,0.32026393 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-2.79459e-06 -1.38441e+00 -9.14790e-06] (Cartesian), [-7.14568032e-07 -5.00011949e-01 -1.52662459e-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=6.510291709116383,0.42528875103776076,0.9408606452433399,101.66361441547788,0.734733981932701,0.1182573237679172,0.17747863306701905,0.1035682983536863,0.4770186221190522,0.8343631511321465,0.07411094414259467,0.6851933091034383,0.6797353541023898,0.5139408618632495 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.58765766e-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=6.510291709116383,0.42528875103776076,0.9408606452433399,101.66361441547788,0.734733981932701,0.1182573237679172,0.17747863306701905,0.1035682983536863,0.4770186221190522,0.8343631511321465,0.07411094414259467,0.6851933091034383,0.6797353541023898,0.5139408618632495 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004226896108767624 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.136,0.45161343,1.0625326,78.331,0.11836711,0.26534797,0.10324261,0.82227157,0.83444972,0.52317303,0.68539622,0.92582794,0.51398369,0.32018537 --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), [-0.99999603 -0.50000899 -0.99999357] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.519720709435881,0.42502897156335046,0.9411494429946962,101.66903809665978,0.7346559936755055,0.11837354254692212,0.17773239706632316,0.10324904367703569,0.476830941584133,0.8344561530460091,0.07417602997159567,0.6854026476617125,0.6798185961590877,0.5139901182197253 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -9.94378473e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.519720709435881,0.42502897156335046,0.9411494429946962,101.66903809665978,0.7346559936755055,0.11837354254692212,0.17773239706632316,0.10324904367703569,0.476830941584133,0.8344561530460091,0.07417602997159567,0.6854026476617125,0.6798185961590877,0.5139901182197253 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004222736035572086 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.147,0.45117944,1.0622092,78.3267,0.11848277,0.26542653,0.1029077,0.82201305,0.83453391,0.52337605,0.68560127,0.92576411,0.51402311,0.32010653 --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), [-1.34532787e-07 -4.99988090e-01 -9.99997253e-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=6.5293916481928616,0.42476331847479565,0.9414368097944398,101.6733165080208,0.7345733388908942,0.11848551662060203,0.17798681050958143,0.1029104459982062,0.4766238129745899,0.8345366620599384,0.074235751511879,0.6856040219845991,0.6798933320474712,0.5140258526347394 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 5.41218218e-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=6.5293916481928616,0.42476331847479565,0.9414368097944398,101.6733165080208,0.7345733388908942,0.11848551662060203,0.17798681050958143,0.1029104459982062,0.4766238129745899,0.8345366620599384,0.074235751511879,0.6856040219845991,0.6798933320474712,0.5140258526347394 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004218458873355885 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1582,0.45076483,1.061885,78.3238,0.11860657,0.26549968,0.10256371,0.82174457,0.83461655,0.52359131,0.68581043,0.92569699,0.51406121,0.32002699 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.31593e+00 -5.07365e-06 -6.01055e+00] (Cartesian), [-9.99996092e-01 -1.82776294e-06 -9.99991927e-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=6.539317952212173,0.42449070404531014,0.9417244569484198,101.67618301828095,0.2655035836922519,0.8814014986424923,0.8217484820417309,0.8974443620234633,0.523595220394923,0.1653915214934467,0.9257009025137823,0.31419764757040447,0.3200308992985075,0.48594686080654137 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.38672357e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.539317952212173,0.42449070404531014,0.9417244569484198,101.67618301828095,0.2655035836922519,0.8814014986424923,0.8217484820417309,0.8974443620234633,0.523595220394923,0.1653915214934467,0.9257009025137823,0.31419764757040447,0.3200308992985075,0.48594686080654137 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004214057195956114 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 -0.99999431] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.549520952222635,0.4242098926518797,0.9420123331993047,101.6775407610304,0.7344384501903667,0.11874557962843602,0.17853944201965377,0.10221509718134492,0.4761844555422856,0.834702749131389,0.07437805724887347,0.6860295114177943,0.6800579334274723,0.5141038915027152 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 2.52281418e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.549520952222635,0.4242098926518797,0.9420123331993047,101.6775407610304,0.7344384501903667,0.11874557962843602,0.17853944201965377,0.10221509718134492,0.4761844555422856,0.834702749131389,0.07437805724887347,0.6860295114177943,0.6800579334274723,0.5141038915027152 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004209521225197592 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1815,0.44987463,1.0612311,78.3231,0.11888559,0.26562406,0.10184243,0.82117406,0.83477372,0.52406502,0.68624094,0.92555307,0.51413507,0.3198655 --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), [-0.99999075 -0.49999676 -0.99999883] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.56004223512081,0.42391770048970734,0.942295495853771,101.67688706110228,0.7343851921373608,0.11888676082468974,0.178835191616306,0.10184359912232521,0.47594422752892207,0.8347748909712274,0.0744561769658123,0.6862421094134521,0.6801437453279298,0.5141362412488442 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 5.76758471e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.56004223512081,0.42391770048970734,0.942295495853771,101.67688706110228,0.7343851921373608,0.11888676082468974,0.178835191616306,0.10184359912232521,0.47594422752892207,0.8347748909712274,0.0744561769658123,0.6862421094134521,0.6801437453279298,0.5141362412488442 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00420484094942404 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.1936,0.44941553,1.0609177,78.3259,0.11904469,0.26567078,0.10146153,0.82086982,0.83484615,0.524328,0.68646278,0.92547702,0.51417159,0.31978326 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.84287e-06 -2.78349e+00 -5.93961e-06] (Cartesian), [-1.22547674e-06 -9.99988696e-01 -9.83625420e-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=6.570883302172648,0.4236145033021852,0.9425808049829186,101.67413612807793,0.26566955277056126,0.8809543273174381,0.8208685991676195,0.898537487678754,0.5243267765949373,0.16515286516059313,0.9254757971888248,0.31353623919019213,0.3197820387143129,0.4858274235522999 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.36299529e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.570883302172648,0.4236145033021852,0.9425808049829186,101.67413612807793,0.26566955277056126,0.8809543273174381,0.8208685991676195,0.898537487678754,0.5243267765949373,0.16515286516059313,0.9254757971888248,0.31353623919019213,0.3197820387143129,0.4858274235522999 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004200004002454082 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.206,0.44895263,1.0606026,78.3312,0.11922067,0.26570318,0.10106391,0.82055119,0.83491235,0.52461236,0.68668914,0.92539889,0.51420884,0.31969964 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.23166 -1.39311 -6.08254] (Cartesian), [ 6.40219754e-07 -5.00007618e-01 -9.99994197e-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=6.582086045547313,0.42329704174500715,0.9428656028126983,101.66876392382142,0.7342974554889323,0.11922647289285981,0.1794494522795682,0.10106971545940513,0.475388281389896,0.8349181546276143,0.07460175053264195,0.6866949384222711,0.6803009998463572,0.5142146470317326 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.68887631e-19] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.582086045547313,0.42329704174500715,0.9428656028126983,101.66876392382142,0.7342974554889323,0.11922647289285981,0.1794494522795682,0.10106971545940513,0.475388281389896,0.8349181546276143,0.07460175053264195,0.6866949384222711,0.6803009998463572,0.5142146470317326 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004194997264689998 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2188,0.44846273,1.0602849,78.3398,0.11941758,0.26571684,0.10064658,0.82021656,0.83496973,0.52492228,0.68692005,0.92531958,0.51424816,0.31961408 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.23355 -1.39445 -6.09521] (Cartesian), [ 2.71384895e-07 -5.00003241e-01 -9.99991411e-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=6.5936900047674385,0.42296224435098884,0.9431492110350818,101.66016279923133,0.7342834283180288,0.11942616792832306,0.17978370950175715,0.10065516598125379,0.47507799559607466,0.8349783202629046,0.0746806906928128,0.6869286429281098,0.6803861878164492,0.5142567525176589 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.0000000e+00 0.0000000e+00 -7.7817643e-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=6.5936900047674385,0.42296224435098884,0.9431492110350818,101.66016279923133,0.7342834283180288,0.11942616792832306,0.17978370950175715,0.10065516598125379,0.47507799559607466,0.8349783202629046,0.0746806906928128,0.6869286429281098,0.6803861878164492,0.5142567525176589 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0041898054935232435 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2321,0.4479389,1.0599477,78.3525,0.11964157,0.26570547,0.10020462,0.81986409,0.83501502,0.52526308,0.68715492,0.92524058,0.51429065,0.31952649 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.60563 -1.39579 0.0247385] (Cartesian), [-9.99989697e-01 -4.99991725e-01 -4.72332756e-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=6.605744975531647,0.42260580966355293,0.9434306324710061,101.6474904181654,0.734304837731818,0.1196410932577836,0.18014621305088419,0.10020415018207895,0.4747472232137313,0.835014550307474,0.07476972497522016,0.6871544473204119,0.6804838090047609,0.5142901807538935 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -1.47336759e-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=6.605744975531647,0.42260580966355293,0.9434306324710061,101.6474904181654,0.734304837731818,0.1196410932577836,0.18014621305088419,0.10020415018207895,0.4747472232137313,0.835014550307474,0.07476972497522016,0.6871544473204119,0.6804838090047609,0.5142901807538935 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0041844088403069244 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2458,0.44740466,1.0596401,78.3705,0.11990073,0.26566011,0.099732649,0.81949125,0.83504295,0.52564273,0.68739349,0.92516404,0.5143396,0.31943541 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.61825 -1.3972 0.0239393] (Cartesian), [-9.99997203e-01 -5.00000342e-01 -1.89914623e-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=6.618314196139285,0.42222203501922356,0.9437079114604648,101.62952097289748,0.7343426826729149,0.11989883405871216,0.18051154542615055,0.09973075011254173,0.474360070320726,0.8350410519597924,0.07483875533925666,0.6873915893971605,0.6805673851687297,0.514337696393119 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 2.04991925e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.618314196139285,0.42222203501922356,0.9437079114604648,101.62952097289748,0.7343426826729149,0.11989883405871216,0.18051154542615055,0.09973075011254173,0.474360070320726,0.8350410519597924,0.07483875533925666,0.6873915893971605,0.6805673851687297,0.514337696393119 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004178785395740314 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.26,0.44683706,1.059345,78.3955,0.12020741,0.2655673,0.099222321,0.81909489,0.83504593,0.52607246,0.68763443,0.92509377,0.51439882,0.31933973 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.17645e-06 -1.39861e+00 -1.10325e-05] (Cartesian), [-1.26796106e-06 -5.00007407e-01 -1.80260813e-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=6.631480698056807,0.4218030169614389,0.9439779766371574,101.60449303937749,0.7344314322155232,0.12020560548074588,0.18090384274113847,0.09922051806194365,0.4739262763772536,0.8350441256760408,0.07490496672001834,0.6876326257021717,0.6806590069647549,0.5143970125505506 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -6.55404318e-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=6.631480698056807,0.4218030169614389,0.9439779766371574,101.60449303937749,0.7344314322155232,0.12020560548074588,0.18090384274113847,0.09922051806194365,0.4739262763772536,0.8350441256760408,0.07490496672001834,0.6876326257021717,0.6806590069647549,0.5143970125505506 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004172906177472819 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2748,0.44621343,1.0590616,78.4306,0.12058264,0.26540498,0.098659928,0.81867142,0.83501059,0.52656971,0.68787508,0.92503634,0.51447527,0.31923687 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.31260e-05 -1.39994e+00 -3.28485e-06] (Cartesian), [-2.07610878e-06 -4.99991419e-01 -5.41082706e-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=6.645365751289731,0.42133543251814604,0.9442360737006612,101.56939671904507,0.7345929422821438,0.1205821011409205,0.18132650832104802,0.0986593866762866,0.47342821301585425,0.8350100490103851,0.07496158331297664,0.6878745342687935,0.6807610532575006,0.5144747243771639 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.0000000e+00 0.0000000e+00 -8.6239191e-18] [ 0.0000000e+00 -1.0000000e+00 0.0000000e+00] [ 0.0000000e+00 0.0000000e+00 1.0000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.645365751289731,0.42133543251814604,0.9442360737006612,101.56939671904507,0.7345929422821438,0.1205821011409205,0.18132650832104802,0.0986593866762866,0.47342821301585425,0.8350100490103851,0.07496158331297664,0.6878745342687935,0.6807610532575006,0.5144747243771639 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004166734769327914 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.2903,0.44554314,1.0587889,78.48,0.12105618,0.26513967,0.098027984,0.81821479,0.8349189,0.52716153,0.68811103,0.92500243,0.51457879,0.31912419 --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), [-0.99999361 -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=6.66013386683461,0.42080223793186067,0.9444724226277246,101.52003296169617,0.7348667140486396,0.1210595063351041,0.1817916024530728,0.09803130801633508,0.47284485374256136,0.8349222255570372,0.07500395901336465,0.6881143577340434,0.6808822003519794,0.5145821185309241 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -2.23529562e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.66013386683461,0.42080223793186067,0.9444724226277246,101.52003296169617,0.7348667140486396,0.1210595063351041,0.1817916024530728,0.09803130801633508,0.47284485374256136,0.8349222255570372,0.07500395901336465,0.6881143577340434,0.6808822003519794,0.5145821185309241 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004160238086504588 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3066,0.44480386,1.0585736,78.5476,0.12165738,0.26473491,0.097312478,0.81771935,0.83475995,0.52787668,0.68833679,0.92500275,0.51471455,0.31900299 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.21193e-05 -1.40261e+00 -4.06437e-06] (Cartesian), [-1.93816919e-06 -5.00011376e-01 -6.61822770e-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=6.675967275585967,0.42018722680200443,0.9446706669363255,101.45237629100342,0.735263151776818,0.12165671556435598,0.18227871226307668,0.09731181648635623,0.47212138624249333,0.8347592900920424,0.07499531631268064,0.6883361277380788,0.6809950674600587,0.5147138839693999 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -4.09578324e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.675967275585967,0.42018722680200443,0.9446706669363255,101.45237629100342,0.735263151776818,0.12165671556435598,0.18227871226307668,0.09731181648635623,0.47212138624249333,0.8347592900920424,0.07499531631268064,0.6883361277380788,0.6809950674600587,0.5147138839693999 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004153378477627739 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3237,0.44396477,1.0584152,78.6395,0.12243112,0.2641384,0.096490904,0.81717816,0.83451172,0.52875618,0.68854433,0.92505362,0.51489171,0.31887314 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.45605 -1.40374 -6.19221] (Cartesian), [-0.99999303 -0.49998945 -0.99999171] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.693133608308219,0.4194655883960723,0.9448097670619583,101.36049422729151,0.7358685722599227,0.12243941311349094,0.1828288061532286,0.09649919919982786,0.4712507875978187,0.8345200197732097,0.07495334673500453,0.6885526208280015,0.6811338294516767,0.5149000039622353 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 2.89251383e-17] [0.00000000e+00 1.00000000e+00 0.00000000e+00] [0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.693133608308219,0.4194655883960723,0.9448097670619583,101.36049422729151,0.7358685722599227,0.12243941311349094,0.1828288061532286,0.09649919919982786,0.4712507875978187,0.8345200197732097,0.07495334673500453,0.6885526208280015,0.6811338294516767,0.5149000039622353 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004146111908298071 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3419,0.44303758,1.0583579,78.763,0.12343567,0.26328523,0.095534089,0.81658422,0.83414266,0.52985239,0.68872297,0.9251755,0.51512088,0.31873361 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.47813e+00 -6.72433e-06 -6.21858e+00] (Cartesian), [-9.99994080e-01 -2.39327839e-06 -9.99998185e-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=6.712028721396576,0.4186026681182778,0.9448561885537773,101.23697784082121,0.26329114561972444,0.8765661459230607,0.8165901398068787,0.9044677258329403,0.5298583093157294,0.16585915588898503,0.9251814198387236,0.3112788497222616,0.3187395297534805,0.4848809348190337 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -1.07945465e-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=6.712028721396576,0.4186026681182778,0.9448561885537773,101.23697784082121,0.26329114561972444,0.8765661459230607,0.8165901398068787,0.9044677258329403,0.5298583093157294,0.16585915588898503,0.9251814198387236,0.3112788497222616,0.3187395297534805,0.4848809348190337 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0041384173123566355 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3612,0.44199208,1.0584481,78.9192,0.12468617,0.26216182,0.094435656,0.81593819,0.833647,0.53118058,0.68887084,0.925369,0.51538858,0.31859033 --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), [-1.28664736e-06 -5.00001911e-01 -9.99997254e-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=6.73295847554257,0.4175860085280703,0.944786885039199,101.08083421034415,0.7378368971429456,0.12468891612950506,0.18406051933035483,0.09443840184733965,0.4688181371714619,0.8336497475659732,0.07462971144774677,0.6888735886823614,0.6814083839230429,0.5153913260073724 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -4.79393676e-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=6.73295847554257,0.4175860085280703,0.944786885039199,101.08083421034415,0.7378368971429456,0.12468891612950506,0.18406051933035483,0.09443840184733965,0.4688181371714619,0.8336497475659732,0.07462971144774677,0.6888735886823614,0.6814083839230429,0.5153913260073724 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.00413031598551661 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.3817,0.44086999,1.0586364,79.093,0.12608269,0.26088872,0.093241144,0.81525623,0.83308251,0.53265598,0.6890105,0.92558057,0.51564031,0.31845859 --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), [-1.31507173e-06 -4.99996539e-01 -9.99992146e-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=6.755868296833961,0.4164556425764965,0.9446214080522566,100.90700962970654,0.7391099642290335,0.12609054446303247,0.1847424584206907,0.09324899830132227,0.46734270497507446,0.8330903661511013,0.07441811246969143,0.6890183554320193,0.6815400989209239,0.5156481669821851 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 1.26757844e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.755868296833961,0.4164556425764965,0.9446214080522566,100.90700962970654,0.7391099642290335,0.12609054446303247,0.1847424584206907,0.09324899830132227,0.46734270497507446,0.8330903661511013,0.07441811246969143,0.6890183554320193,0.6815400989209239,0.5156481669821851 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004121804657280199 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4036,0.43972141,1.0588575,79.2623,0.12746498,0.25965631,0.09201422,0.81455628,0.83253838,0.53414063,0.68918026,0.92572468,0.51581112,0.31835298 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.01759e-05 -1.16913e-05 -3.88001e-06] (Cartesian), [-1.61044230e-06 -4.15210387e-06 -6.10094203e-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=6.780470666616718,0.41527401181123436,0.9444165256958804,100.73765081529126,0.25965470118921163,0.8725344049775945,0.8145546674122968,0.907985169954689,0.534139016884897,0.16746100763015925,0.925723073942945,0.3108191276295129,0.31835136948047826,0.4841882687288235 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.09763052e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.780470666616718,0.41527401181123436,0.9444165256958804,100.73765081529126,0.25965470118921163,0.8725344049775945,0.8145546674122968,0.907985169954689,0.534139016884897,0.16746100763015925,0.925723073942945,0.3108191276295129,0.31835136948047826,0.4841882687288235 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0041127855479043225 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4271,0.43851815,1.0590624,79.4158,0.12874426,0.25857207,0.090774685,0.8138399,0.83206441,0.53555854,0.68940735,0.92574241,0.515865,0.31828138 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.80659 -1.40919 -0.0370742] (Cartesian), [-9.99996755e-01 -4.99990834e-01 -1.31051277e-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=6.806714599521642,0.41406637876696123,0.9442252361049702,100.58422298770694,0.7414311699489156,0.12874295408715097,0.18616334190043604,0.0907733743455672,0.46444470453877273,0.8320631038661843,0.07426083458524424,0.6894060427109514,0.6817218686692805,0.5158636896931861 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -2.34619551e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.806714599521642,0.41406637876696123,0.9442252361049702,100.58422298770694,0.7414311699489156,0.12874295408715097,0.18616334190043604,0.0907733743455672,0.46444470453877273,0.8320631038661843,0.07426083458524424,0.6894060427109514,0.6817218686692805,0.5158636896931861 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004103056482070079 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4527,0.43727432,1.0592465,79.5528,0.12991438,0.25765522,0.089498542,0.81309109,0.83166881,0.53690338,0.6897065,0.92560435,0.51577986,0.31825172 --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), [-1.15454297e-06 -5.00002767e-01 -9.99997807e-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=6.834974633687327,0.41281563400637206,0.944072745337703,100.44719457422995,0.7423436255452318,0.12991656921546002,0.18690775472186338,0.08950073543895654,0.4630954685273889,0.83167100102495,0.07439449374831186,0.6897086909370036,0.6817471286113124,0.5157820567445812 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.02227287e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.834974633687327,0.41281563400637206,0.944072745337703,100.44719457422995,0.7423436255452318,0.12991656921546002,0.18690775472186338,0.08950073543895654,0.4630954685273889,0.83167100102495,0.07439449374831186,0.6897086909370036,0.6817471286113124,0.5157820567445812 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004092302001193681 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.4814,0.43589348,1.059339,79.6772,0.13100365,0.25689548,0.088134348,0.81228168,0.83134676,0.53819597,0.69009176,0.9252799,0.51552158,0.31828083 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.86578 -1.41259 -0.0532316] (Cartesian), [-9.99993382e-01 -4.99991631e-01 -1.60316178e-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=6.866033656536716,0.4114787999132409,0.9439748746785142,100.32284094581873,0.7431111373186239,0.13100204648500302,0.1877249406779038,0.08813274528395532,0.46181064490567514,0.8313451551252138,0.07472672052415197,0.6900901613339598,0.681725793129158,0.515519980625472 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[1.00000000e+00 0.00000000e+00 1.37933733e-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=6.866033656536716,0.4114787999132409,0.9439748746785142,100.32284094581873,0.7431111373186239,0.13100204648500302,0.1877249406779038,0.08813274528395532,0.46181064490567514,0.8313451551252138,0.07472672052415197,0.6900901613339598,0.681725793129158,0.515519980625472 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004080101083267305 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.5145,0.43436948,1.059191,79.7654,0.13183217,0.25655453,0.086683708,0.8113492,0.83116978,0.53925642,0.69064862,0.92460436,0.5149928,0.31840417 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.89983 -1.41485 -0.0587072] (Cartesian), [-9.99989972e-01 -5.00000603e-01 9.28992669e-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=6.900147868744386,0.41009216620137584,0.9441086183285621,100.23456538727021,0.743455499615227,0.13183310388844838,0.18866083107585752,0.08668463744057897,0.4607536111986348,0.8311707113997837,0.0754056630898825,0.690649550012747,0.6816058601818016,0.5149937278229051 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 5.51433854e-17] [ 0.00000000e+00 -1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[1.0, 0.0, 0.0], [0.0, -1.0, 0.0], [0.0, 0.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.900147868744386,0.41009216620137584,0.9441086183285621,100.23456538727021,0.743455499615227,0.13183310388844838,0.18866083107585752,0.08668463744057897,0.4607536111986348,0.8311707113997837,0.0754056630898825,0.690649550012747,0.6816058601818016,0.5149937278229051 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004065433095423787 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.5552,0.43252685,1.0586252,79.8087,0.13233111,0.2568256,0.085032186,0.81013519,0.83117604,0.53997912,0.69147739,0.92335624,0.51404339,0.31871432 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-6.93923 -1.41765 -0.0613295] (Cartesian), [-9.99998658e-01 -5.00001240e-01 -1.51893138e-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=6.939510499617043,0.40857247293223925,0.9446201472249324,100.19132993443803,0.7431757437373743,0.1323309622026798,0.18986615559852282,0.08503203368715173,0.4600222261074669,0.8311758845225818,0.07664510430193561,0.6914772417709969,0.6812870175887806,0.5140432381377229 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[ 1.00000000e+00 0.00000000e+00 -3.73901547e-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=6.939510499617043,0.40857247293223925,0.9446201472249324,100.19132993443803,0.7431757437373743,0.1323309622026798,0.18986615559852282,0.08503203368715173,0.4600222261074669,0.8311758845225818,0.07664510430193561,0.6914772417709969,0.6812870175887806,0.5140432381377229 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.004044243356924124 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.615,0.4296901,1.0576417,79.8455,0.13280918,0.25777983,0.082525377,0.80814015,0.83137365,0.5404679,0.69277422,0.92090178,0.5121081,0.31962786 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-5.77072 -1.4212 -6.56402] (Cartesian), [-0.99999897 -0.49999803 -0.99999721] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.996306086666986,0.40627313679813615,0.9455010845212204,100.15451252922846,0.7422211958999096,0.13281196366269588,0.1918608798947825,0.0825281631478405,0.45953312907379096,0.8313764399881034,0.07909924829426407,0.6927770026485753,0.6803731718583017,0.5121108815293396 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 1.17515084e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=6.996306086666986,0.40627313679813615,0.9455010845212204,100.15451252922846,0.7422211958999096,0.13281196366269588,0.1918608798947825,0.0825281631478405,0.45953312907379096,0.8313764399881034,0.07909924829426407,0.6927770026485753,0.6803731718583017,0.5121108815293396 INFO:kim_tools.aflow_util.core:Attempting to find NN distance by searching within covalent radii times 1 INFO:kim_tools.aflow_util.core:Automatically set max fractional residual for solving position equations to 0.0034817146801940477 INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=7.7244,0.39855523,1.0422816,79.9059,0.13114476,0.280135,0.03070857,0.73205668,0.8373967,0.54040038,0.71951137,0.84789271,0.43074447,0.35557801 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [ 1.41686 -1.53929 -7.59333] (Cartesian), [-1.04511710e-06 -4.99989155e-01 -9.99994308e-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=8.050984198870578,0.3823938411770392,0.9594395091111915,100.0941288546154,0.7198639592454747,0.13115044983577584,0.2679422710756034,0.030714261887667682,0.4595985712970312,0.8374023917818816,0.15210624707493325,0.7195170598084308,0.6444209485150945,0.43075015999507427 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-1.00000000e+00 0.00000000e+00 -4.38957062e-17] [ 0.00000000e+00 1.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 -1.00000000e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[-1.0, 0.0, 0.0], [0.0, 1.0, 0.0], [0.0, 0.0, -1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype AB4_mP10_11_e_4e that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=AB4_mP10_11_e_4e --params=8.050984198870578,0.3823938411770392,0.9594395091111915,100.0941288546154,0.7198639592454747,0.13115044983577584,0.2679422710756034,0.030714261887667682,0.4595985712970312,0.8374023917818816,0.15210624707493325,0.7195170598084308,0.6444209485150945,0.43075015999507427 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