INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.9028,0.54695135,0.26622863,0.59565647,0.79644753,0.57883118,0.67452263,0.34523288,0.048719901 --webpage INFO:kim_tools.test_driver.core:The configuration you provided has a maximum force component 2.441790206101219 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=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.9028,0.54695135,0.26622863,0.59565647,0.79644753,0.57883118,0.67452263,0.34523288,0.048719901 --webpage INFO:kim_tools.test_driver.core:The following exception was caught during minimization: INFO:kim_tools.test_driver.core:RuntimeError('LineSearch failed!') INFO:kim_tools.test_driver.core:Minimization stalled after 194 steps. INFO:kim_tools.test_driver.core:Final forces: INFO:kim_tools.test_driver.core:[[-2.27949569e-11 -1.26070885e-06 -3.14690507e-07] [ 1.88364289e-11 1.26070414e-06 -3.14692877e-07] [-4.09185429e-11 -1.26068415e-06 3.14691555e-07] [-1.48050669e-12 1.26067885e-06 3.14688689e-07] [-3.14685055e-07 1.48734983e-11 -1.26068296e-06] [-3.14691843e-07 -2.54769469e-11 1.26068586e-06] [ 3.14688097e-07 2.41231410e-11 -1.26067589e-06] [ 3.14687853e-07 -1.73111837e-11 1.26067638e-06] [-1.26067451e-06 -3.14688064e-07 -9.38401787e-12] [ 1.26069080e-06 -3.14692513e-07 2.81320106e-12] [-1.26070799e-06 3.14691823e-07 -1.12286569e-11] [ 1.26071871e-06 3.14698218e-07 -4.69267333e-12] [ 1.27124929e-03 -4.67156091e-04 1.22032057e-03] [-1.27124923e-03 4.67156123e-04 1.22032058e-03] [-1.27124932e-03 -4.67156077e-04 -1.22032057e-03] [-9.94121933e-03 -2.63768005e-03 6.87434262e-03] [ 1.22032058e-03 1.27124929e-03 -4.67156084e-04] [-1.18915813e-02 6.80963132e-03 -4.55371893e-03] [-1.22032055e-03 -1.27124924e-03 -4.67156117e-04] [ 6.87434259e-03 -9.94121932e-03 -2.63768007e-03] [-4.67156094e-04 1.22032057e-03 1.27124928e-03] [ 4.67156095e-04 1.22032059e-03 -1.27124926e-03] [-4.67156100e-04 -1.22032056e-03 -1.27124928e-03] [ 4.67156107e-04 -1.22032051e-03 1.27124931e-03] [-1.27124929e-03 4.67156096e-04 -1.22032057e-03] [ 1.27124928e-03 -4.67156109e-04 -1.22032055e-03] [ 1.27124928e-03 4.67156091e-04 1.22032058e-03] [-1.27124928e-03 -4.67156099e-04 1.22032057e-03] [-1.22032057e-03 -1.27124927e-03 4.67156101e-04] [-1.22032057e-03 1.27124927e-03 -4.67156102e-04] [ 1.22032061e-03 1.27124927e-03 4.67156089e-04] [ 1.22032057e-03 -1.27124926e-03 -4.67156105e-04] [ 4.67156103e-04 -1.22032057e-03 -1.27124928e-03] [-4.67156103e-04 -1.22032054e-03 1.27124929e-03] [ 4.67156102e-04 1.22032055e-03 1.27124928e-03] [-4.67156102e-04 1.22032056e-03 -1.27124928e-03] [-5.95425341e-04 8.83415513e-04 -1.25250010e-03] [ 5.97704703e-04 -1.08897859e-02 -1.26098384e-03] [ 5.93145876e-04 -9.12295473e-03 1.26098384e-03] [ 1.55998090e-02 9.12636193e-03 1.28319475e-03] [ 9.95996852e-03 2.50941083e-03 -7.21124763e-03] [ 1.18509180e-02 -7.48317585e-03 -5.86891081e-03] [ 1.26098384e-03 5.93145822e-04 -9.12295468e-03] [ 1.28319474e-03 1.55998090e-02 9.12636197e-03] [-7.21124760e-03 9.95996851e-03 2.50941085e-03] [-1.08897858e-02 -1.26098385e-03 5.97704742e-04] [-9.12295472e-03 1.26098379e-03 5.93145878e-04] [ 9.12636195e-03 1.28319472e-03 1.55998090e-02] [ 5.93145874e-04 9.12295472e-03 1.26098383e-03] [-5.95425300e-04 8.83415579e-04 1.25250007e-03] [-1.67906596e-02 -1.08931931e-02 -1.28319477e-03] [ 5.97704756e-04 1.08897858e-02 -1.26098385e-03] [ 1.26098383e-03 5.93145862e-04 9.12295470e-03] [ 1.25250008e-03 -5.95425300e-04 8.83415575e-04] [-1.28319476e-03 -1.67906596e-02 -1.08931931e-02] [-1.26098384e-03 5.97704760e-04 1.08897858e-02] [ 9.12295469e-03 1.26098383e-03 5.93145858e-04] [ 8.83415571e-04 1.25250009e-03 -5.95425304e-04] [-1.08931931e-02 -1.28319473e-03 -1.67906596e-02] [ 1.08897858e-02 -1.26098380e-03 5.97704750e-04]] INFO:kim_tools.test_driver.core:Final stress: INFO:kim_tools.test_driver.core:[ 3.99415478e-06 -1.52596614e-06 -7.04954933e-06 2.13293044e-05 5.23598324e-05 3.57954357e-05] 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 0.0015805020406308753 INFO:kim_tools.aflow_util.core:aflow --np=4 --prim < /tmp/tmpalqy10ab | aflow --np=4 --compare2prototypes --catalog=anrl --quiet --print=json INFO:kim_tools.aflow_util.core:Detected encyclopedia entry A_cF240_202_h2i-001: FCC C$_{60}$ Buckminsterfullerene Structure INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.9405,0.049782695,0.75814668,0.21104454,0.41935133,0.4003761,0.68028954,0.33878406,0.049848266 --webpage INFO:kim_tools.aflow_util.core:Initial shift (to SOME standard origin, not necessarily the desired one): [-1.32853e-05 -1.38521e-05 -1.31991e-05] (Cartesian), [-9.21383491e-07 -8.45509024e-07 -9.32922622e-07] (fractional) INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --equations_only INFO:kim_tools.aflow_util.core:Additionally shifting atoms by internal fractional translation [0.0, 0.0, 0.0] INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.symmetry_util.core:Attempting to match fractional rotation: [[-3.26502242e-07 -1.00000027e+00 2.98072721e-08] [-9.99999860e-01 2.33781311e-07 6.87423385e-07] [ 1.00000051e+00 1.00000076e+00 1.00000009e+00]] INFO:kim_tools.symmetry_util.core:Found matching rotation with point group op: [[0.0, -1.0, 0.0], [-1.0, 0.0, 0.0], [1.0, 1.0, 1.0]] INFO:kim_tools.aflow_util.core:Found set of parameters for prototype A_cF240_202_h2i that is unrotated INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpsmpai6ke --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmp2ju9lp_w --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --version INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --parameter_symbols_only INFO:kim_tools.aflow_util.core:aflow --np=4 --proto=A_cF240_202_h2i --params=14.940467380847416,0.45021682269502095,0.25814624179518497,0.21104365439225514,0.5806477395606335,0.40037521280365884,0.1802886514915547,0.16121501713696595,0.04984738275645917 --webpage INFO:kim_tools.aflow_util.core:aflow --np=4 --compare_materials -D /tmp/tmpsd6k96w8 --no_scale_volume --screen_only --quiet --print=json INFO:kim_tools.test_driver.core:Deduplicated 3 Property Instances down to 3.