reciprocal_cell = [ [ "1.9877207551407783", "1.1476111130543343", "0.0",], [ "4.413626697765189e-16", "2.2952222261086686", "0.0",], [ "0.0", "0.0", "0.5110358118747458",],]
cell = [ [ "3.161", "0.0", "0.0",], [ "-1.5804999999999993", "2.7375063013626106", "0.0",], [ "0.0", "0.0", "12.295",],]
volume = "106.39179996177563"
chemical_formula = "Mo2S4"
chemical_symbols = [ "Mo", "Mo", "S", "S", "S", "S",]
cell_scaled_unit = [ [ "0.33333000000000007", "0.6666700000000001", "0.25",], [ "0.6666699999999999", "0.33334", "0.7499999999999999",], [ "0.33333000000000007", "0.6666700000000001", "0.6275",], [ "0.6666699999999999", "0.33334", "0.12749999999999995",], [ "0.33333000000000007", "0.66666", "0.8725",], [ "0.6666700000000001", "0.33333000000000007", "0.37250000000000005",],]
masses = [ "95.95", "95.95", "32.06", "32.06", "32.06", "32.06",]
positions = [ [ "-1.5804999999471935e-05", "1.825013325929412", "3.07375",], [ "1.5805", "0.9125203504962127", "9.22125",], [ "-1.5804999999471935e-05", "1.825013325929412", "7.715112499999999",], [ "1.5805", "0.9125203504962127", "1.5676124999999994",], [ "6.316015443985634e-16", "1.8249859508663981", "10.7273875",], [ "1.5805158050000003", "0.9124929754331992", "4.579887500000001",],]
atomic_numbers = [ "42", "42", "16", "16", "16", "16",]
spacegroup = "C c"
spacegroup_number = 9
spacegroup_rotations = [ [ [ "1", "0", "0",], [ "0", "1", "0",], [ "0", "0", "1",],], [ [ "1", "0", "0",], [ "0", "-1", "0",], [ "0", "0", "1",],],]
electronic_band_structure = "BandStructure(path=BandPath(path='GMKGALHALMKH', cell=[3x3], special_points={AGHKLM}, kpts=[36x3]), energies=[1x36x36 values], reference=8.882072408464518)"

[ground_state]
magnetic_moment = 0.0
kinetic_energy = 0.0
potential_energy = "-43.78505761517259"
stress = [ "-0.031866599583172124", "-0.03186330654137927", "-0.06403084225180052", "-8.077550171863365e-06", "4.6604528561941744e-06", "-2.2928027052331004e-06",]
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",],]
total_energy = "-43.78505761517259"
angular_momentum = [ "0.0", "0.0", "0.0",]
dipole_moment = [ "-8.396633390445734e-05", "0.0001453948190922972", "9.385221708535405e-08",]
moments_of_inertia = [ "256.1493014400915", "3325.990424535493", "3582.1397259514233",]
center_of_mass = [ "0.7902452630419508", "1.3687613553333207", "6.1475",]
Fermi_level = "8.684060853129363"

[electronic_dos]
energy = [ "-53.682279010471696", "-53.33211283690427", "-52.981946663336856", "-52.63178048976943", "-52.28161431620201", "-51.931448142634586", "-51.58128196906717", "-51.23111579549975", "-50.880949621932324", "-50.53078344836491", "-50.180617274797484", "-49.83045110123006", "-49.48028492766264", "-49.13011875409522", "-48.7799525805278", "-48.429786406960375", "-48.07962023339296", "-47.729454059825535", "-47.37928788625811", "-47.029121712690696", "-46.67895553912327", "-46.32878936555585", "-45.978623191988426", "-45.62845701842101", "-45.278290844853586", "-44.92812467128616", "-44.57795849771874", "-44.227792324151324", "-43.8776261505839", "-43.52745997701648", "-43.17729380344906", "-42.82712762988164", "-42.476961456314214", "-42.1267952827468", "-41.776629109179375", "-41.42646293561195", "-41.076296762044535", "-40.72613058847711", "-40.37596441490969", "-40.025798241342265", "-39.67563206777484", "-39.325465894207426", "-38.97529972064", "-38.62513354707258", "-38.27496737350516", "-37.92480119993774", "-37.574635026370316", "-37.2244688528029", "-36.87430267923548", "-36.524136505668054", "-36.17397033210064", "-35.82380415853321", "-35.47363798496579", "-35.123471811398375", "-34.773305637830944", "-34.42313946426353", "-34.072973290696105", "-33.72280711712868", "-33.372640943561265", "-33.02247476999384", "-32.67230859642642", "-32.322142422859", "-31.97197624929158", "-31.621810075724156", "-31.271643902156736", "-30.921477728589316", "-30.571311555021893", "-30.221145381454473", "-29.87097920788705", "-29.52081303431963", "-29.170646860752207", "-28.820480687184787", "-28.470314513617367", "-28.120148340049944", "-27.769982166482524", "-27.4198159929151", "-27.06964981934768", "-26.71948364578026", "-26.36931747221284", "-26.01915129864542", "-25.668985125077995", "-25.318818951510575", "-24.968652777943152", "-24.618486604375732", "-24.268320430808313", "-23.91815425724089", "-23.56798808367347", "-23.217821910106046", "-22.867655736538627", "-22.517489562971203", "-22.167323389403784", "-21.817157215836364", "-21.466991042268944", "-21.11682486870152", "-20.766658695134097", "-20.416492521566674", "-20.066326347999258", "-19.716160174431835", "-19.36599400086441", "-19.015827827296995", "-18.665661653729572", "-18.31549548016215", "-17.965329306594725", "-17.61516313302731", "-17.264996959459886", "-16.914830785892462", "-16.564664612325046", "-16.214498438757623", "-15.8643322651902", "-15.514166091622783", "-15.16399991805536", "-14.813833744487937", "-14.463667570920514", "-14.113501397353097", "-13.763335223785674", "-13.41316905021825", "-13.063002876650835", "-12.712836703083411", "-12.362670529515988", "-12.012504355948565", "-11.662338182381148", "-11.312172008813725", "-10.962005835246302", "-10.611839661678886", "-10.261673488111462", "-9.911507314544039", "-9.561341140976616", "-9.2111749674092", "-8.861008793841776", "-8.510842620274353", "-8.160676446706937", "-7.8105102731395135", "-7.46034409957209", "-7.110177926004667", "-6.760011752437251", "-6.409845578869827", "-6.059679405302404", "-5.709513231734988", "-5.359347058167565", "-5.009180884600141", "-4.659014711032718", "-4.308848537465302", "-3.9586823638978785", "-3.6085161903304552", "-3.258350016763039", "-2.9081838431956157", "-2.5580176696281924", "-2.207851496060769", "-1.857685322493353", "-1.5075191489259296", "-1.1573529753585063", "-0.8071868017910901", "-0.45702062822366685", "-0.10685445465624355", "0.24331171891117265", "0.593477892478596", "0.9436440660460192", "1.2938102396134425", "1.6439764131808587", "1.994142586748282", "2.3443087603157053", "2.6944749338831215", "3.044641107450545", "3.394807281017968", "3.7449734545853914", "4.095139628152808", "4.445305801720231", "4.795471975287654", "5.14563814885507", "5.495804322422494", "5.845970495989917", "6.19613666955734", "6.5463028431247565", "6.89646901669218", "7.246635190259603", "7.596801363827019", "7.946967537394443", "8.297133710961866", "8.64729988452929", "8.997466058096705", "9.347632231664129", "9.697798405231552", "10.047964578798968", "10.398130752366392", "10.748296925933808", "11.098463099501238", "11.448629273068654", "11.79879544663607", "12.148961620203501", "12.499127793770917", "12.849293967338347", "13.199460140905764", "13.54962631447318", "13.89979248804061", "14.249958661608026", "14.600124835175443", "14.950291008742873", "15.30045718231029", "15.650623355877705", "16.000789529445136", "16.350955703012552",]
dos = [ "2.1696505827294727e-11", "0.46513296506127866", "0.6983842130911383", "4.0359635141369515e-11", "7.071467070481872e-32", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "6.78691723090404e-19", "0.0005468608674393707", "20.58509024938827", "2.2367936570295956", "2.9062319171655143e-08", "1.3585579950405536e-26", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "1.9128111800957388e-38", "1.118231419869706e-15", "0.001753902336616443", "0.7564681506591744", "0.00018232189415702283", "7.658106452291702e-14", "0.03289204970643956", "4.6768152483552505", "0.538768737580701", "3.8821050407913007", "0.5564666202784989", "4.805234786727612e-10", "9.320126832065769e-30", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "7.55578121643801e-42", "3.150815014596158e-23", "5.405412044771984e-07", "0.21573652512592661", "0.050930893357377445", "4.867395998673466", "0.5280139108056378", "0.9253091990456384", "3.960905971231945", "3.1887322944709444", "4.329146013037106", "0.0593405749749176", "5.089738376357769", "2.179968465739154", "0.007483268132152618", "1.7167439244230922", "5.571173501786023", "2.561476087257845", "2.7999662743915747", "0.18214684045467422", "0.14949338494452177", "2.0229868409630103", "0.3634738781371446", "0.4452894268473007", "0.0022572292709131803", "0.057066013393689496", "0.22229375177408608", "0.2583466022914523", "4.7900109850927", "3.930558471232635", "1.5609912610278376", "2.915826399601028", "4.466320205527708", "2.9392180918644986", "1.1214577389656248", "0.026268836696019836", "0.4629482062580972", "5.994002167080483e-10", "0.000325521383781128", "0.9565726022710341", "0.030017550895525113", "0.4737941686404223", "1.349710933146165", "2.65272688397609", "0.27684589883910693", "0.051821419360995054", "5.808769808451606e-12",]
energy_unit = "eV"
Fermi_level = "8.684060853129363"
title = "Mo2S4 e-DOS [GPAW]"
