190070'5,10,15,25,30,35,40,45,50,55,60,65,70,75,80,85,90,95''-82.3297998,-85.56539209,-85.59660996,-85.63150121,-85.63465036,-85.63324962,-85.63381166,-85.63279616,-85.63318156,-85.63311928,-85.63311928,-85.63316912,-85.63315436,-85.63315433,-85.63316801,-85.63316446,-85.63315937,-85.63316441''500,550,600,650,700,750,800,850,900,950,1000,1050,1100,1150,1200,1250,1300,1350,1400,1450,1500,1550,1600,1650,1700,1750,1800,1850,1900,1950,2000,2050,2100,2150''-85.56328411,-85.56539209,-85.55323862,-85.5588365,-85.56025465,-85.56410282,-85.56687473,-85.56713874,-85.56693176,-85.5570933,-85.55685808,-85.56061577,-85.56063887,-85.56073226,-85.56083327,-85.56526922,-85.55830066,-85.56506932,-85.56140227,-85.56142286,-85.56150474,-85.56160129,-85.5583846,-85.56639531,-85.55846586,-85.56641073,-85.55748716,-85.55930386,-85.55932956,-85.56016906,-85.56019393,-85.5602209,-85.56023953,-85.56024442'
/rk2/knc6/JARVIS-DFT/Ehull-bulk/mp-15727_PBEBO'https://www.materialsproject.org/materials/mp-15727''/rk2/knc6/JARVIS-DFT/Ehull-bulk/mp-15727_PBEBO'JARVIS-ID'JARVIS-ID'JARVIS-DFT-VASP'JARVIS-DFT-VASP'bulk'bulk'"15.373919575138162,15.374114958197207,15.374295080427354,15.374350077406394,15.374365284383998,15.374795774473116,21.808654142003814,21.809089919292376,31.033643190930384,31.03404509422911,31.034415606240515,31.034528735255336,31.034560016075744,31.035445536850418,34.8069791972425,34.807393248614915,34.80764422579222,34.80814628277875,34.808167471613416,34.808200078058256,38.25191282313604,38.25224740068403,38.25343969804984,38.25372216997179,41.45187218187841,41.45250183819672,44.4616939171018,44.4626184604128,50.046775254913875,50.04740884007199,50.04752703473545,50.04796637167737,50.048008446667964,50.04802539748033,50.04859994580206,50.04864202040292,50.049199541956646,50.04983310465908,55.20825809130414,55.20874292514495,55.20881401131208,55.20895598443493,55.20922785564875,55.20931847918751,55.209984751532424,55.21041066412126,55.21054065990086,55.21098620652465,55.21125817055665,55.211451487047356,57.671041567734655,73.48285550451814,73.48345322107488,81.88739393029378,98.34448420763967""5.7634293838412,5.763356578871535,5.763289462140455,5.763268969606979,5.763263303330835,5.763102902963446,4.07528478976107,4.075204345186864,2.8817146919206,2.8816782894357673,2.8816447310702276,2.8816344848034894,2.8816316516654177,2.881551451481723,2.5774751261602384,2.57744541459866,2.5774274052898862,2.57739138010017,2.5773898597147484,2.5773875200728438,2.3529056236024823,2.352885813800137,2.3528152226524184,2.3527984992801465,2.1783662076308454,2.1783345746498406,2.037642394880535,2.037602172593432,1.8225568672282368,1.822535280216447,1.8225312532442304,1.8225162849101397,1.8225148514175955,1.8225142739050855,1.822494699340315,1.822493265898704,1.8224742719060307,1.822452687828938,1.663760723318478,1.6637472608139734,1.6637452869671172,1.6637413448208345,1.6637337958731242,1.6637312795800554,1.6637127798344773,1.6637009541728844,1.6636973448175227,1.663684974273321,1.6636774233300384,1.6636720560431875,1.598434650791096,1.28872270729933,1.2887137026449431,1.1764076113262092,1.0188211974402674""0.5309591695670705,0.5309502461636548,0.5309316347006708,0.5309276020753129,0.5309318906452647,0.5309003264663588,3.021758218334201,1.5108070196380041,3.5517888966322113,3.5516939084803645,3.5515551548335678,3.551520922331629,3.5515380905586955,3.55127014796652,1.6055063292971734,1.6082041220656917,1.6081706657414039,1.6053491597407452,1.6053464497467451,1.6053420589854803,0.5304810296504175,0.5304678468769749,0.5304208722530912,0.530409744057322,0.5543376218969877,0.7672757858480785,2.162018173357193,1.0809442952581199,0.5468105830108384,0.5275387497360816,1.0743071912239277,0.5275206849904127,0.5275128549018123,1.07428735252175,0.5467492773743688,0.5467412787824021,0.5467225493118301,0.5274537400830205,0.9910728014613899,0.9910397940359598,0.9910421710173174,0.9910280417486876,0.9910193436168137,0.9910143101517098,0.9909775780801733,0.9909478068268845,0.9909469172349142,0.990922361590537,0.9909073451044169,0.9908966662219277,0.6305823689947959,0.7687071233516044,0.7686890261591973,0.600897938517842,0.8304513957342143"JVASP-22202"OPT-Bandst,JVASP-22202.zip,https://ndownloader.figshare.com/files/23834927;DFT-SCF,JVASP-22202.zip,https://ndownloader.figshare.com/files/23285288;""JVASP-22202"LaP12Ru4"LaP12Ru4"P,Ru,La"P,Ru,La"3OptB88vdW"OptB88vdW"-0.68449-5.03807204m-3Im-3cubic8.158.158.1590.090.090.07.067.067.06109.47109.47109.4717345.612"n;a""P,1.042,1.414,0.000,0.000,2.456;P,1.048,1.398,0.000,0.000,2.445;P,1.048,1.398,0.000,0.000,2.445;P,1.046,1.395,0.000,0.000,2.440;P,1.042,1.406,0.000,0.000,2.448;P,1.042,1.414,0.000,0.000,2.456;P,1.043,1.400,0.000,0.000,2.443;P,1.046,1.394,0.000,0.000,2.439;P,1.046,1.395,0.000,0.000,2.440;P,1.046,1.394,0.000,0.000,2.439;P,1.043,1.400,0.000,0.000,2.443;P,1.042,1.406,0.000,0.000,2.448;Ru,0.341,6.347,6.178,0.000,12.865;Ru,0.347,6.343,6.145,0.000,12.834;Ru,0.343,6.344,6.170,0.000,12.856;Ru,0.339,6.350,6.173,0.000,12.861;La,1.971,5.690,0.704,0.172,8.537"270.7250.436"272\n16.30108 0.0 0.0 0.0 16.30108 0.0 0.0 0.0 16.30108\nP -2.3143 -7.5512 1.7739\nP -2.3143 -7.5512 9.9244\nP -2.3143 0.5993 1.7739\nP -2.3143 0.5993 9.9244\nP 5.8363 -7.5512 1.7739\nP 5.8363 -7.5512 9.9244\nP 5.8363 0.5993 1.7739\nP 5.8363 0.5993 9.9244\nP -4.6376 -7.5512 1.7739\nP -4.6376 -7.5512 9.9244\nP -4.6376 0.5993 1.7739\nP -4.6376 0.5993 9.9244\nP 3.5129 -7.5512 1.7739\nP 3.5129 -7.5512 9.9244\nP 3.5129 0.5993 1.7739\nP 3.5129 0.5993 9.9244\nP -6.3896 -3.476 3.5\nP -6.3896 -3.476 11.6506\nP -6.3896 4.6746 3.5\nP -6.3896 4.6746 11.6506\nP 1.761 -3.476 3.5\nP 1.761 -3.476 11.6506\nP 1.761 4.6746 3.5\nP 1.761 4.6746 11.6506\nP -2.3014 -0.5624 4.6746\nP -2.3014 -0.5624 12.8251\nP -2.3014 7.5882 4.6746\nP -2.3014 7.5882 12.8251\nP 5.8491 -0.5624 4.6746\nP 5.8491 -0.5624 12.8251\nP 5.8491 7.5882 4.6746\nP 5.8491 7.5882 12.8251\nP -3.476 -2.3014 1.761\nP -3.476 -2.3014 9.9115\nP -3.476 5.8491 1.761\nP -3.476 5.8491 9.9115\nP 4.6746 -2.3014 1.761\nP 4.6746 -2.3014 9.9115\nP 4.6746 5.8491 1.761\nP 4.6746 5.8491 9.9115\nP -0.5624 -3.476 3.5\nP -0.5624 -3.476 11.6506\nP -0.5624 4.6746 3.5\nP -0.5624 4.6746 11.6506\nP 7.5882 -3.476 3.5\nP 7.5882 -3.476 11.6506\nP 7.5882 4.6746 3.5\nP 7.5882 4.6746 11.6506\nP -2.3014 -6.3896 4.6746\nP -2.3014 -6.3896 12.8251\nP -2.3014 1.761 4.6746\nP -2.3014 1.761 12.8251\nP 5.8491 -6.3896 4.6746\nP 5.8491 -6.3896 12.8251\nP 5.8491 1.761 4.6746\nP 5.8491 1.761 12.8251\nP -7.5512 -0.5752 5.8363\nP -7.5512 -0.5752 13.9868\nP -7.5512 7.5753 5.8363\nP -7.5512 7.5753 13.9868\nP 0.5993 -0.5752 5.8363\nP 0.5993 -0.5752 13.9868\nP 0.5993 7.5753 5.8363\nP 0.5993 7.5753 13.9868\nP -0.5752 -2.3143 0.5993\nP -0.5752 -2.3143 8.7498\nP -0.5752 5.8363 0.5993\nP -0.5752 5.8363 8.7498\nP 7.5753 -2.3143 0.5993\nP 7.5753 -2.3143 8.7498\nP 7.5753 5.8363 0.5993\nP 7.5753 5.8363 8.7498\nP -3.476 -2.3014 7.5882\nP -3.476 -2.3014 15.7387\nP -3.476 5.8491 7.5882\nP -3.476 5.8491 15.7387\nP 4.6746 -2.3014 7.5882\nP 4.6746 -2.3014 15.7387\nP 4.6746 5.8491 7.5882\nP 4.6746 5.8491 15.7387\nP -0.5752 -4.6376 0.5993\nP -0.5752 -4.6376 8.7498\nP -0.5752 3.5129 0.5993\nP -0.5752 3.5129 8.7498\nP 7.5753 -4.6376 0.5993\nP 7.5753 -4.6376 8.7498\nP 7.5753 3.5129 0.5993\nP 7.5753 3.5129 8.7498\nP -7.5512 -0.5752 3.5129\nP -7.5512 -0.5752 11.6634\nP -7.5512 7.5753 3.5129\nP -7.5512 7.5753 11.6634\nP 0.5993 -0.5752 3.5129\nP 0.5993 -0.5752 11.6634\nP 0.5993 7.5753 3.5129\nP 0.5993 7.5753 11.6634\nRu -1.4383 -5.5136 2.6369\nRu -1.4383 -5.5136 10.7875\nRu -1.4383 2.6369 2.6369\nRu -1.4383 2.6369 10.7875\nRu 6.7122 -5.5136 2.6369\nRu 6.7122 -5.5136 10.7875\nRu 6.7122 2.6369 2.6369\nRu 6.7122 2.6369 10.7875\nRu -1.4383 -1.4383 6.7122\nRu -1.4383 -1.4383 14.8627\nRu -1.4383 6.7122 6.7122\nRu -1.4383 6.7122 14.8627\nRu 6.7122 -1.4383 6.7122\nRu 6.7122 -1.4383 14.8627\nRu 6.7122 6.7122 6.7122\nRu 6.7122 6.7122 14.8627\nRu -5.5136 -1.4383 2.6369\nRu -5.5136 -1.4383 10.7875\nRu -5.5136 6.7122 2.6369\nRu -5.5136 6.7122 10.7875\nRu 2.6369 -1.4383 2.6369\nRu 2.6369 -1.4383 10.7875\nRu 2.6369 6.7122 2.6369\nRu 2.6369 6.7122 10.7875\nRu -1.4383 -1.4383 2.6369\nRu -1.4383 -1.4383 10.7875\nRu -1.4383 6.7122 2.6369\nRu -1.4383 6.7122 10.7875\nRu 6.7122 -1.4383 2.6369\nRu 6.7122 -1.4383 10.7875\nRu 6.7122 6.7122 2.6369\nRu 6.7122 6.7122 10.7875\nLa -7.5512 -7.5512 0.5993\nLa -7.5512 -7.5512 8.7498\nLa -7.5512 0.5993 0.5993\nLa -7.5512 0.5993 8.7498\nLa 0.5993 -7.5512 0.5993\nLa 0.5993 -7.5512 8.7498\nLa 0.5993 0.5993 0.5993\nLa 0.5993 0.5993 8.7498\nP -6.3896 -3.476 5.8491\nP -6.3896 -3.476 13.9997\nP -6.3896 4.6746 5.8491\nP -6.3896 4.6746 13.9997\nP 1.761 -3.476 5.8491\nP 1.761 -3.476 13.9997\nP 1.761 4.6746 5.8491\nP 1.761 4.6746 13.9997\nP -0.5624 -3.476 5.8491\nP -0.5624 -3.476 13.9997\nP -0.5624 4.6746 5.8491\nP -0.5624 4.6746 13.9997\nP 7.5882 -3.476 5.8491\nP 7.5882 -3.476 13.9997\nP 7.5882 4.6746 5.8491\nP 7.5882 4.6746 13.9997\nP -2.3143 -7.5512 7.5753\nP -2.3143 -7.5512 15.7258\nP -2.3143 0.5993 7.5753\nP -2.3143 0.5993 15.7258\nP 5.8363 -7.5512 7.5753\nP 5.8363 -7.5512 15.7258\nP 5.8363 0.5993 7.5753\nP 5.8363 0.5993 15.7258\nP -6.3767 -4.6376 0.5993\nP -6.3767 -4.6376 8.7498\nP -6.3767 3.5129 0.5993\nP -6.3767 3.5129 8.7498\nP 1.7739 -4.6376 0.5993\nP 1.7739 -4.6376 8.7498\nP 1.7739 3.5129 0.5993\nP 1.7739 3.5129 8.7498\nP -7.5512 -6.3767 5.8363\nP -7.5512 -6.3767 13.9868\nP -7.5512 1.7739 5.8363\nP -7.5512 1.7739 13.9868\nP 0.5993 -6.3767 5.8363\nP 0.5993 -6.3767 13.9868\nP 0.5993 1.7739 5.8363\nP 0.5993 1.7739 13.9868\nP -4.6376 -7.5512 7.5753\nP -4.6376 -7.5512 15.7258\nP -4.6376 0.5993 7.5753\nP -4.6376 0.5993 15.7258\nP 3.5129 -7.5512 7.5753\nP 3.5129 -7.5512 15.7258\nP 3.5129 0.5993 7.5753\nP 3.5129 0.5993 15.7258\nP -6.3767 -2.3143 0.5993\nP -6.3767 -2.3143 8.7498\nP -6.3767 5.8363 0.5993\nP -6.3767 5.8363 8.7498\nP 1.7739 -2.3143 0.5993\nP 1.7739 -2.3143 8.7498\nP 1.7739 5.8363 0.5993\nP 1.7739 5.8363 8.7498\nP -3.476 -4.6505 1.761\nP -3.476 -4.6505 9.9115\nP -3.476 3.5 1.761\nP -3.476 3.5 9.9115\nP 4.6746 -4.6505 1.761\nP 4.6746 -4.6505 9.9115\nP 4.6746 3.5 1.761\nP 4.6746 3.5 9.9115\nP -4.6505 -6.3896 4.6746\nP -4.6505 -6.3896 12.8251\nP -4.6505 1.761 4.6746\nP -4.6505 1.761 12.8251\nP 3.5 -6.3896 4.6746\nP 3.5 -6.3896 12.8251\nP 3.5 1.761 4.6746\nP 3.5 1.761 12.8251\nP -7.5512 -6.3767 3.5129\nP -7.5512 -6.3767 11.6634\nP -7.5512 1.7739 3.5129\nP -7.5512 1.7739 11.6634\nP 0.5993 -6.3767 3.5129\nP 0.5993 -6.3767 11.6634\nP 0.5993 1.7739 3.5129\nP 0.5993 1.7739 11.6634\nP -4.6505 -0.5624 4.6746\nP -4.6505 -0.5624 12.8251\nP -4.6505 7.5882 4.6746\nP -4.6505 7.5882 12.8251\nP 3.5 -0.5624 4.6746\nP 3.5 -0.5624 12.8251\nP 3.5 7.5882 4.6746\nP 3.5 7.5882 12.8251\nP -3.476 -4.6505 7.5882\nP -3.476 -4.6505 15.7387\nP -3.476 3.5 7.5882\nP -3.476 3.5 15.7387\nP 4.6746 -4.6505 7.5882\nP 4.6746 -4.6505 15.7387\nP 4.6746 3.5 7.5882\nP 4.6746 3.5 15.7387\nRu -5.5136 -1.4383 6.7122\nRu -5.5136 -1.4383 14.8627\nRu -5.5136 6.7122 6.7122\nRu -5.5136 6.7122 14.8627\nRu 2.6369 -1.4383 6.7122\nRu 2.6369 -1.4383 14.8627\nRu 2.6369 6.7122 6.7122\nRu 2.6369 6.7122 14.8627\nRu -5.5136 -5.5136 2.6369\nRu -5.5136 -5.5136 10.7875\nRu -5.5136 2.6369 2.6369\nRu -5.5136 2.6369 10.7875\nRu 2.6369 -5.5136 2.6369\nRu 2.6369 -5.5136 10.7875\nRu 2.6369 2.6369 2.6369\nRu 2.6369 2.6369 10.7875\nRu -1.4383 -5.5136 6.7122\nRu -1.4383 -5.5136 14.8627\nRu -1.4383 2.6369 6.7122\nRu -1.4383 2.6369 14.8627\nRu 6.7122 -5.5136 6.7122\nRu 6.7122 -5.5136 14.8627\nRu 6.7122 2.6369 6.7122\nRu 6.7122 2.6369 14.8627\nRu -5.5136 -5.5136 6.7122\nRu -5.5136 -5.5136 14.8627\nRu -5.5136 2.6369 6.7122\nRu -5.5136 2.6369 14.8627\nRu 2.6369 -5.5136 6.7122\nRu 2.6369 -5.5136 14.8627\nRu 2.6369 2.6369 6.7122\nRu 2.6369 2.6369 14.8627\nLa -3.476 -3.476 4.6746\nLa -3.476 -3.476 12.8251\nLa -3.476 4.6746 4.6746\nLa -3.476 4.6746 12.8251\nLa 4.6746 -3.476 4.6746\nLa 4.6746 -3.476 12.8251\nLa 4.6746 4.6746 4.6746\nLa 4.6746 4.6746 12.8251\n""P92Ru64La6\n1.0\n16.30108 0.0 0.0\n0.0 16.30108 0.0\n0.0 0.0 16.30108\nLa P Ru\n16 192 64\nCartesian\n8.15054 8.15054 8.15054\n12.22581 4.07527 12.22581\n12.22581 4.07527 4.07527\n4.07527 12.22581 12.22581\n4.07527 12.22581 4.07527\n4.07527 4.07527 12.22581\n4.07527 4.07527 4.07527\n12.22581 12.22581 4.07527\n8.15054 8.15054 0.0\n8.15054 0.0 8.15054\n8.15054 0.0 0.0\n0.0 8.15054 8.15054\n0.0 8.15054 0.0\n0.0 0.0 8.15054\n0.0 0.0 0.0\n12.22581 12.22581 12.22581\n1.1616769008690786 4.07527 2.9007172981925793\n13.387486900869078 8.15054 6.975987298192579\n13.387486900869078 8.15054 15.126527298192578\n1.1745527018074204 2.9135930991309213 0.0\n1.1745527018074204 2.9135930991309213 8.15054\n1.1745527018074204 11.06413309913092 0.0\n1.1745527018074204 11.06413309913092 8.15054\n9.32509270180742 2.9135930991309213 0.0\n9.32509270180742 2.9135930991309213 8.15054\n9.32509270180742 11.06413309913092 0.0\n9.32509270180742 11.06413309913092 8.15054\n0.0 1.1745527018074204 5.2369469008690785\n13.387486900869078 0.0 15.126527298192578\n0.0 1.1745527018074204 13.387486900869078\n0.0 9.32509270180742 13.387486900869078\n8.15054 1.1745527018074204 5.2369469008690785\n8.15054 1.1745527018074204 13.387486900869078\n8.15054 9.32509270180742 5.2369469008690785\n8.15054 9.32509270180742 13.387486900869078\n2.9135930991309213 0.0 6.975987298192579\n2.9135930991309213 0.0 15.126527298192578\n2.9135930991309213 8.15054 6.975987298192579\n2.9135930991309213 8.15054 15.126527298192578\n11.06413309913092 0.0 6.975987298192579\n11.06413309913092 0.0 15.126527298192578\n0.0 9.32509270180742 5.2369469008690785\n11.06413309913092 8.15054 6.975987298192579\n13.387486900869078 0.0 6.975987298192579\n5.2369469008690785 8.15054 6.975987298192579\n11.064133099130922 0.0 1.1745527018074202\n2.9135930991309222 8.15054 9.325092701807419\n2.9135930991309222 8.15054 1.1745527018074202\n2.9135930991309222 0.0 9.325092701807419\n2.9135930991309222 0.0 1.1745527018074202\n13.387486900869078 8.15054 9.325092701807419\n1.1616769008690786 4.07527 5.24982270180742\n1.1616769008690786 4.07527 13.40036270180742\n1.1616769008690786 12.22581 5.24982270180742\n1.1616769008690786 12.22581 13.40036270180742\n9.312216900869078 4.07527 5.24982270180742\n5.2369469008690785 8.15054 15.126527298192578\n9.312216900869078 4.07527 13.40036270180742\n11.064133099130922 8.15054 9.325092701807419\n6.9888630991309215 4.07527 5.24982270180742\n6.9888630991309215 4.07527 13.40036270180742\n6.9888630991309215 12.22581 5.24982270180742\n6.9888630991309215 12.22581 13.40036270180742\n15.13940309913092 4.07527 5.24982270180742\n15.13940309913092 4.07527 13.40036270180742\n15.13940309913092 12.22581 5.24982270180742\n15.13940309913092 12.22581 13.40036270180742\n5.2369469008690785 0.0 6.975987298192579\n5.2369469008690785 0.0 15.126527298192578\n9.312216900869078 12.22581 5.24982270180742\n11.064133099130922 0.0 9.325092701807419\n11.06413309913092 8.15054 15.126527298192578\n1.1745527018074204 5.2369469008690785 8.15054\n8.15054 9.32509270180742 2.9135930991309213\n8.15054 9.32509270180742 11.06413309913092\n2.9007172981925793 6.9888630991309215 4.07527\n2.9007172981925793 6.9888630991309215 12.22581\n2.9007172981925793 15.13940309913092 4.07527\n2.9007172981925793 15.13940309913092 12.22581\n11.051257298192578 6.9888630991309215 4.07527\n11.051257298192578 6.9888630991309215 12.22581\n11.051257298192578 15.13940309913092 4.07527\n11.051257298192578 15.13940309913092 12.22581\n4.07527 2.9007172981925793 6.9888630991309215\n8.15054 1.1745527018074204 11.06413309913092\n4.07527 2.9007172981925793 15.13940309913092\n4.07527 11.051257298192578 15.13940309913092\n12.22581 2.9007172981925793 6.9888630991309215\n12.22581 2.9007172981925793 15.13940309913092\n12.22581 11.051257298192578 6.9888630991309215\n12.22581 11.051257298192578 15.13940309913092\n13.387486900869078 8.15054 1.1745527018074202\n13.387486900869078 0.0 9.325092701807419\n13.387486900869078 0.0 1.1745527018074202\n5.236946900869078 8.15054 9.325092701807419\n5.236946900869078 8.15054 1.1745527018074202\n5.236946900869078 0.0 9.325092701807419\n4.07527 11.051257298192578 6.9888630991309215\n1.1745527018074204 5.2369469008690785 0.0\n8.15054 1.1745527018074204 2.9135930991309213\n0.0 9.32509270180742 2.9135930991309213\n1.1745527018074204 13.387486900869078 0.0\n1.1745527018074204 13.387486900869078 8.15054\n9.32509270180742 5.2369469008690785 0.0\n9.32509270180742 5.2369469008690785 8.15054\n9.32509270180742 13.387486900869078 0.0\n9.32509270180742 13.387486900869078 8.15054\n4.07527 2.9007172981925793 1.1616769008690786\n4.07527 2.9007172981925793 9.312216900869078\n4.07527 11.051257298192578 1.1616769008690786\n4.07527 11.051257298192578 9.312216900869078\n12.22581 2.9007172981925793 1.1616769008690786\n0.0 9.32509270180742 11.06413309913092\n12.22581 2.9007172981925793 9.312216900869078\n12.22581 11.051257298192578 9.312216900869078\n2.9007172981925793 1.1616769008690786 4.07527\n2.9007172981925793 1.1616769008690786 12.22581\n2.9007172981925793 9.312216900869078 4.07527\n2.9007172981925793 9.312216900869078 12.22581\n11.051257298192578 1.1616769008690786 4.07527\n11.051257298192578 1.1616769008690786 12.22581\n11.051257298192578 9.312216900869078 4.07527\n11.051257298192578 9.312216900869078 12.22581\n0.0 1.1745527018074204 2.9135930991309213\n0.0 1.1745527018074204 11.06413309913092\n12.22581 11.051257298192578 1.1616769008690786\n11.064133099130922 8.15054 1.1745527018074202\n9.312216900869078 12.22581 13.40036270180742\n13.40036270180742 9.312216900869078 12.22581\n15.13940309913092 4.07527 11.051257298192578\n15.13940309913092 12.22581 2.9007172981925793\n15.13940309913092 12.22581 11.051257298192578\n5.24982270180742 1.1616769008690786 4.07527\n5.24982270180742 1.1616769008690786 12.22581\n5.24982270180742 9.312216900869078 4.07527\n5.24982270180742 9.312216900869078 12.22581\n13.40036270180742 1.1616769008690786 4.07527\n13.40036270180742 1.1616769008690786 12.22581\n13.40036270180742 9.312216900869078 4.07527\n0.0 6.975987298192579 5.236946900869078\n15.13940309913092 4.07527 2.9007172981925793\n0.0 6.975987298192579 13.387486900869078\n0.0 15.126527298192578 13.387486900869078\n8.15054 6.975987298192579 5.236946900869078\n8.15054 6.975987298192579 13.387486900869078\n8.15054 15.126527298192578 5.236946900869078\n8.15054 15.126527298192578 13.387486900869078\n6.975987298192579 5.236946900869078 0.0\n6.975987298192579 5.236946900869078 8.15054\n6.975987298192579 13.387486900869078 0.0\n6.975987298192579 13.387486900869078 8.15054\n15.126527298192578 5.236946900869078 0.0\n15.126527298192578 5.236946900869078 8.15054\n0.0 15.126527298192578 5.236946900869078\n15.126527298192578 13.387486900869078 0.0\n6.9888630991309215 12.22581 11.051257298192578\n6.9888630991309215 4.07527 11.051257298192578\n1.1616769008690786 4.07527 11.051257298192578\n1.1616769008690786 12.22581 2.9007172981925793\n1.1616769008690786 12.22581 11.051257298192578\n9.312216900869078 4.07527 2.9007172981925793\n9.312216900869078 4.07527 11.051257298192578\n9.312216900869078 12.22581 2.9007172981925793\n9.312216900869078 12.22581 11.051257298192578\n5.24982270180742 6.9888630991309215 4.07527\n5.24982270180742 6.9888630991309215 12.22581\n5.24982270180742 15.13940309913092 4.07527\n5.24982270180742 15.13940309913092 12.22581\n6.9888630991309215 12.22581 2.9007172981925793\n13.40036270180742 6.9888630991309215 4.07527\n13.40036270180742 15.13940309913092 4.07527\n13.40036270180742 15.13940309913092 12.22581\n4.07527 5.24982270180742 1.1616769008690786\n4.07527 5.24982270180742 9.312216900869078\n4.07527 13.40036270180742 1.1616769008690786\n4.07527 13.40036270180742 9.312216900869078\n12.22581 5.24982270180742 1.1616769008690786\n12.22581 5.24982270180742 9.312216900869078\n12.22581 13.40036270180742 1.1616769008690786\n12.22581 13.40036270180742 9.312216900869078\n6.9888630991309215 4.07527 2.9007172981925793\n13.40036270180742 6.9888630991309215 12.22581\n15.126527298192578 13.387486900869078 8.15054\n5.236946900869078 0.0 1.1745527018074202\n4.07527 5.24982270180742 15.13940309913092\n4.07527 5.24982270180742 6.9888630991309215\n8.15054 15.126527298192578 11.064133099130922\n8.15054 15.126527298192578 2.9135930991309222\n8.15054 6.975987298192579 11.064133099130922\n8.15054 6.975987298192579 2.9135930991309222\n0.0 15.126527298192578 11.064133099130922\n0.0 6.975987298192579 11.064133099130922\n0.0 6.975987298192579 2.9135930991309222\n15.126527298192578 11.064133099130922 8.15054\n15.126527298192578 11.064133099130922 0.0\n15.126527298192578 2.9135930991309222 8.15054\n0.0 15.126527298192578 2.9135930991309222\n6.975987298192579 11.064133099130922 8.15054\n6.975987298192579 11.064133099130922 0.0\n6.975987298192579 2.9135930991309222 8.15054\n6.975987298192579 2.9135930991309222 0.0\n12.22581 13.40036270180742 15.13940309913092\n12.22581 13.40036270180742 6.9888630991309215\n12.22581 5.24982270180742 15.13940309913092\n12.22581 5.24982270180742 6.9888630991309215\n4.07527 13.40036270180742 15.13940309913092\n15.126527298192578 2.9135930991309222 0.0\n4.07527 13.40036270180742 6.9888630991309215\n14.263444999999999 2.037635 6.112905\n6.112905 10.188175 14.263444999999999\n6.112905 10.188175 6.112905\n6.112905 2.037635 14.263444999999999\n6.112905 2.037635 6.112905\n2.037635 10.188175 10.188175\n10.188175 10.188175 2.037635\n10.188175 2.037635 10.188175\n10.188175 2.037635 2.037635\n2.037635 10.188175 2.037635\n14.263444999999999 2.037635 14.263444999999999\n2.037635 2.037635 10.188175\n10.188175 10.188175 10.188175\n14.263444999999999 10.188175 6.112905\n6.112905 6.112905 10.188175\n2.037635 2.037635 6.112905\n2.037635 2.037635 14.263444999999999\n2.037635 10.188175 6.112905\n2.037635 10.188175 14.263444999999999\n10.188175 2.037635 6.112905\n10.188175 2.037635 14.263444999999999\n10.188175 10.188175 6.112905\n10.188175 10.188175 14.263444999999999\n6.112905 6.112905 2.037635\n2.037635 2.037635 2.037635\n6.112905 14.263444999999999 2.037635\n6.112905 14.263444999999999 10.188175\n14.263444999999999 6.112905 2.037635\n14.263444999999999 6.112905 10.188175\n14.263444999999999 10.188175 14.263444999999999\n10.188175 14.263444999999999 14.263444999999999\n2.037635 14.263444999999999 10.188175\n10.188175 6.112905 14.263444999999999\n14.263444999999999 14.263444999999999 10.188175\n6.112905 2.037635 2.037635\n6.112905 2.037635 10.188175\n6.112905 10.188175 2.037635\n6.112905 10.188175 10.188175\n14.263444999999999 2.037635 2.037635\n14.263444999999999 2.037635 10.188175\n14.263444999999999 10.188175 2.037635\n14.263444999999999 10.188175 10.188175\n6.112905 6.112905 6.112905\n6.112905 6.112905 14.263444999999999\n6.112905 14.263444999999999 6.112905\n6.112905 14.263444999999999 14.263444999999999\n14.263444999999999 6.112905 6.112905\n14.263444999999999 6.112905 14.263444999999999\n14.263444999999999 14.263444999999999 6.112905\n14.263444999999999 14.263444999999999 14.263444999999999\n2.037635 6.112905 2.037635\n2.037635 6.112905 10.188175\n2.037635 14.263444999999999 2.037635\n10.188175 6.112905 2.037635\n10.188175 6.112905 10.188175\n10.188175 14.263444999999999 2.037635\n10.188175 14.263444999999999 10.188175\n2.037635 6.112905 6.112905\n2.037635 6.112905 14.263444999999999\n2.037635 14.263444999999999 6.112905\n2.037635 14.263444999999999 14.263444999999999\n10.188175 6.112905 6.112905\n10.188175 14.263444999999999 6.112905\n14.263444999999999 14.263444999999999 2.037635\n""P2Ru4La\n1.0\n6.654885356446194 3.7557565e-09 -2.3528576841357016\n-3.327442172566457 5.763300024266804 -2.352857684135702\n-1.6991734e-09 -2.9430544e-09 7.058572042792999\nLa P Ru\n1 12 4\nCartesian\n0.0 0.0 0.0\n2.6174870140406155 2.8725454371719104 3.3568876372601775\n4.5064034884920545 2.060220685773206 -1.3488329960308014\n1.6584665804699554 4.533618954590151 -2.34542994121157\n1.6689834195300435 1.2296810454098497 4.6982799412115686\n-1.1789534884920554 3.7030793142267933 3.701682996030802\n0.4690005025303543 4.932766122941099 1.3488173785344686\n0.7099629859593839 2.8907545628280906 -1.0040376372601791\n-0.2304494170995717 2.0602206857732814 2.3602888369274924\n4.755467145698427 0.8305338770599332 2.3454173691387976\n-1.4280171456984265 4.932766122940065 0.007432630861202917\n2.858449497469647 0.8305338770588999 1.0040326214655302\n3.5578994170995712 3.703079314226719 -0.00743883692749357\n1.663725 2.88165 1.1764249999999996\n3.327445 0.0 -1.17643\n0.0 0.0 3.529285\n-1.66372 2.88165 -1.17643\n""CIF file written using JARVIS-Tools package.\ndata_LaP12Ru4\n_symmetry_space_group_name_H-M 'Im-3'\n_cell_length_a 7.05858\n_cell_length_b 7.05857\n_cell_length_c 7.05857\n_cell_angle_alpha 109.471\n_cell_angle_beta 109.471\n_cell_angle_gamma 109.471\n\n_symmetry_Int_Tables_number 204\n_chemical_formula_structural LaP12Ru4\n_chemical_formula_sum P2Ru4La\n_cell_volume 270.7251845914687\n_cell_formula_units_Z 1\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_fract_occupancy\n La La1 1 0.00000 0.00000 0.00000 1\n P P1 1 0.64253 0.49842 0.85589 1\n P P2 1 0.85589 0.35747 0.21336 1\n P P3 1 0.64253 0.78664 0.14411 1\n P P4 1 0.35747 0.21336 0.85589 1\n P P5 1 0.14411 0.64253 0.78664 1\n P P6 1 0.49842 0.85589 0.64253 1\n P P7 1 0.35747 0.50158 0.14411 1\n P P8 1 0.14411 0.35747 0.50158 1\n P P9 1 0.78664 0.14411 0.64253 1\n P P10 1 0.21336 0.85589 0.35747 1\n P P11 1 0.50158 0.14411 0.35747 1\n P P12 1 0.85589 0.64253 0.49842 1\n Ru Ru1 1 0.50000 0.50000 0.50000 1\n Ru Ru2 1 0.50000 0.00000 0.00000 1\n Ru Ru3 1 0.00000 0.00000 0.50000 1\n Ru Ru4 1 0.00000 0.50000 0.00000 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-2.210.0"609838.8163862043,110369.91179771847,207086.0438211708,609838.8163862043,110369.91179771847,207086.0438211708""0,16,28,40,55,70,71,79""\Gamma,H,N,\Gamma,P,H,P,N""0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79;0,1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30,31,32,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,73,74,75,76,77,78,79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