reciprocal_cell = [ [ "1.4011689938416791", "0.0", "0.0",], [ "0.0", "1.4011689938416791", "0.0",], [ "0.0", "0.0", "1.4011689938416791",],]
cell = [ [ "4.48424518", "0.0", "0.0",], [ "0.0", "4.48424518", "0.0",], [ "0.0", "0.0", "4.48424518",],]
volume = "90.17124166819619"
chemical_formula = "Mn4Si4"
chemical_symbols = [ "Mn", "Mn", "Mn", "Mn", "Si", "Si", "Si", "Si",]
cell_scaled_unit = [ [ "0.13645961", "0.86354039", "0.36354039",], [ "0.36354039", "0.13645960999999995", "0.86354039",], [ "0.63645961", "0.63645961", "0.63645961",], [ "0.86354039", "0.36354039000000005", "0.13645961",], [ "0.15421523", "0.65421523", "0.84578477",], [ "0.34578476999999996", "0.34578476999999996", "0.34578476999999985",], [ "0.65421523", "0.84578477", "0.15421523000000004",], [ "0.84578477", "0.15421523000000015", "0.65421523",],]
masses = [ "54.938044", "54.938044", "54.938044", "54.938044", "28.085", "28.085", "28.085", "28.085",]
positions = [ [ "0.6119183484071798", "3.8723268315928205", "1.6302042415928202",], [ "1.6302042415928202", "0.6119183484071796", "3.8723268315928205",], [ "2.85404093840718", "2.85404093840718", "2.85404093840718",], [ "3.8723268315928205", "1.6302042415928204", "0.6119183484071798",], [ "0.6915389018100915", "2.9336614918100916", "3.792706278189909",], [ "1.5505836881899084", "1.5505836881899084", "1.550583688189908",], [ "2.9336614918100916", "3.792706278189909", "0.6915389018100916",], [ "3.792706278189909", "0.6915389018100921", "2.9336614918100916",],]
atomic_numbers = [ "25", "25", "25", "25", "14", "14", "14", "14",]
spacegroup = "P 21 3"
spacegroup_number = 198
spacegroup_rotations = [ [ [ "1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "1",],], [ [ "-1", "0", "0",], [ "0", "-1", "0",], [ "0", "0", "1",],], [ [ "-1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "-1",],], [ [ "1", "0", "0",], [ "0", "-1", "0",], [ "0", "0", "-1",],], [ [ "0", "0", "1",], [ "1", "0", "0",], [ "0", "1", "0",],], [ [ "0", "0", "1",], [ "-1", "0", "0",], [ "0", "-1", "0",],], [ [ "0", "0", "-1",], [ "-1", "0", "0",], [ "0", "1", "0",],], [ [ "0", "0", "-1",], [ "1", "0", "0",], [ "0", "-1", "0",],], [ [ "0", "1", "0",], [ "0", "0", "1",], [ "1", "0", "0",],], [ [ "0", "-1", "0",], [ "0", "0", "1",], [ "-1", "0", "0",],], [ [ "0", "1", "0",], [ "0", "0", "-1",], [ "-1", "0", "0",],], [ [ "0", "-1", "0",], [ "0", "0", "-1",], [ "1", "0", "0",],],]
electronic_band_structure = "BandStructure(path=BandPath(path='GXMGRXMRKpt0Kpt1', cell=[3x3], special_points={GKpt0Kpt1MRX}, kpts=[28x3]), energies=[1x28x46 values], reference=16.3258)"

[ground_state]
kinetic_energy = 0.0
potential_energy = -12058.081057732537
stress = [ "3.0612513406192567", "3.0612513406192567", "3.0612513406192567", "-0.0", "-0.0", "-0.0",]
momenta = [ [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",], [ "0.0", "0.0", "0.0",],]
total_energy = -12058.081057732537
angular_momentum = [ "0.0", "0.0", "0.0",]
moments_of_inertia = [ "810.5905480753863", "810.5905480753866", "1349.1634704267271",]
center_of_mass = [ "2.24212259", "2.24212259", "2.24212259",]
Fermi_level = 16.1808

[electronic_dos]
energy = [ "-81.0125", "-80.7977015", "-80.582903", "-80.3681045", "-80.153306", "-79.9385075", "-79.723709", "-79.5089105", "-79.294112", "-79.0793135", "-78.864515", "-78.6497165", "-78.434918", "-78.22011950000001", "-78.00532100000001", "-77.79052250000001", "-77.57572400000001", "-77.36092550000001", "-77.146127", "-76.9313285", "-76.71653", "-76.5017315", "-76.286933", "-76.0721345", "-75.857336", "-75.6425375", "-75.427739", "-75.2129405", "-74.998142", "-74.7833435", "-74.568545", "-74.3537465", "-74.138948", "-73.9241495", "-73.709351", "-73.4945525", "-73.279754", "-73.0649555", "-72.850157", "-72.6353585", "-72.42056", "-72.20576150000001", "-71.99096300000001", "-71.77616450000001", "-71.561366", "-71.3465675", "-71.131769", "-70.9169705", "-70.702172", "-70.4873735", "-70.272575", "-70.0577765", "-69.842978", "-69.6281795", "-69.413381", "-69.1985825", "-68.983784", "-68.7689855", "-68.554187", "-68.3393885", "-68.12459", "-67.9097915", "-67.694993", "-67.48019450000001", 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dos = [ "1.6457044296200497e-10", "0.005615043206635962", "28.4525516799201", "33.26278708656986", "0.012244948896013144", "7.963102589290351e-10", "5.929830130918722e-21", "4.535187081738591e-36", "3.474690649791858e-55", "2.646033432722156e-78", "1.995596830315518e-105", "1.487452948611488e-136", "1.0942534047136367e-171", "7.937619283014584e-211", "5.673711811932646e-254", "3.994201461231566e-301", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", "0.0", 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"3.901247965541349e-05", "0.7662081940229819", "6.878759945035049", "0.8185258455755569", "4.080968436086144", "3.7199419527760567", "6.985086876148147", "8.7398843623459", "5.516965026826564", "13.107300973135555", "13.63153351057803", "0.5327480832684923", "0.04294498676333997", "15.339680702758494", "10.338888567091754", "13.023058776737725", "6.740120204271034", "18.184288362498084", "18.676510994998278", "26.653163790535945", "20.470455385398004", "15.037602866240972", "20.912594496142358", "11.885231887781531", "9.410868205174015", "8.78695923489433", "27.20941092482439", "29.34285607411084", "12.68520123220323", "6.418138914132118", "14.996658858570784", "8.646591315768529", "3.5135466981683803", "21.31137111819961", "14.546604397281328", "1.8127171835266478", "0.6207144347406184", "11.672155081106173", "9.446967191250943", "1.2769836172063371", "0.010984356031452789", "13.641889147740867", "2.03320613087694", "6.9817251603278745", "12.04027803136622", "7.796149388613653", "0.008387245338470017", "1.6670666020910045e-05", "0.8311983347228977", "4.073330455074326", "0.0019618441389842", "9.286439541868544e-11",]
energy_unit = "eV"
Fermi_level = 16.1808
title = "Mn4Si4 e-DOS [QUANTUMESPRESSO]"
