case,energy_eV,max_force_eV_A,volume_A3
graphene-elastic-xx-+0.000,-18.4490648,1.9344508264621255e-06,105.67068784999994
graphene-elastic-xx-+0.005,-18.44736594,0.01423169000472537,106.19904128924998
graphene-elastic-xx-+0.010,-18.44308842,0.006334070000710444,106.72739472850002
graphene-elastic-xx--0.005,-18.44834552,0.010500000011947619,105.14233441075005
graphene-elastic-xx--0.010,-18.44487369,0.0003055000315875597,104.61398097149997
graphene-elastic-xy-+0.000,-18.4490648,1.9344508264621255e-06,105.67068784999994
graphene-elastic-xy-+0.005,-18.44870075,0.012414815801166766,105.67002740781496
graphene-elastic-xy-+0.010,-18.44736304,0.015303527135618115,105.66804608372998
graphene-elastic-xy--0.005,-18.44870074,0.012415804785248518,105.67002740781496
graphene-elastic-xy--0.010,-18.44736389,0.01532229055543263,105.66804608372998
si-aimd-300k,-84.00038895,2.613478382076403,327.1418574240633
si-anharmonic-000,-86.76308709,0.39733012805183526,327.1418574240633
si-anharmonic-001,-86.75058035,0.7228703499050785,327.1418574240633
si-anharmonic-002,-86.76308709,0.3973316154888794,327.1418574240633
si-anharmonic-003,-86.74520883,0.7970859482330713,327.1418574240633
si-anharmonic-004,-86.76904238,3.104979871110278e-06,327.1418574240633
si-anharmonic-005,-86.75755635,0.38417679011691547,327.1418574240633
si-anharmonic-006,-86.75670663,0.41155997848097936,327.1418574240633
si-anharmonic-007,-86.75797621,0.36918650625305416,327.1418574240633
si-anharmonic-008,-86.75628835,0.42540842220490216,327.1418574240633
si-anharmonic-009,-86.75694782,0.4036556192645425,327.1418574240633
si-anharmonic-010,-86.75731938,0.3921671530989766,327.1418574240633
si-anharmonic-011,-86.75755636,0.38417747901272065,327.1418574240633
si-anharmonic-012,-86.75671386,0.4126205474258583,327.1418574240633
si-anharmonic-013,-86.75696389,0.4032758337050692,327.1418574240633
si-anharmonic-014,-86.75729616,0.3927910688400674,327.1418574240633
si-anharmonic-015,-86.7569409,0.40471310748120837,327.1418574240633
si-anharmonic-016,-86.75731937,0.39216873965865623,327.1418574240633
si-anharmonic-017,-86.75651767,0.41769014768932844,327.1418574240633
si-anharmonic-018,-86.75774118,0.3774767112912344,327.1418574240633
si-anharmonic-019,-86.75710318,0.39966022110332106,327.1418574240633
si-anharmonic-020,-86.75715715,0.3978391787100957,327.1418574240633
si-anharmonic-021,-86.75710318,0.3996618267445042,327.1418574240633
si-anharmonic-022,-86.75715308,0.39678831487743493,327.1418574240633
si-anharmonic-023,-86.7570851,0.39890858526907463,327.1418574240633
si-anharmonic-024,-86.75717837,0.39577623650090743,327.1418574240633
si-anharmonic-029,-86.7615776,0.2858007693408681,327.1418574240633
si-anharmonic-030,-86.75221747,0.5883656142444514,327.1418574240633
si-anharmonic-031,-86.76212788,0.2570312650419651,327.1418574240633
si-anharmonic-032,-86.75174409,0.5967042227060629,327.1418574240633
si-anharmonic-033,-86.75768088,0.4240670001918983,327.1418574240633
si-anharmonic-034,-86.75651841,0.45995987364037244,327.1418574240633
si-anharmonic-035,-86.76212789,0.2570344355190222,327.1418574240633
si-anharmonic-036,-86.75251172,0.5483835674198866,327.1418574240633
si-anharmonic-037,-86.75823266,0.36065968726710845,327.1418574240633
si-anharmonic-038,-86.75603026,0.4341449723435238,327.1418574240633
si-anharmonic-039,-86.75768412,0.4230522506397718,327.1418574240633
si-anharmonic-040,-86.7565184,0.4599589622823292,327.1418574240633
si-anharmonic-041,-86.75768221,0.38154754264844293,327.1418574240633
si-anharmonic-042,-86.75656227,0.41877060503769314,327.1418574240633
si-defect-bulk,-86.76904238,0.0,327.1418574240633
si-phonon-v100-000,-86.76639574,0.264738447581869,327.1418574240633
si-phonon-v100-001,-86.76639574,0.26473761475468405,327.1418574240633
si-phonon-v102-000,-86.73133909,0.2536855694415457,333.6846949530062
si-phonon-v102-001,-86.73133909,0.2536869668314486,333.6846949530062
si-phonon-v104-000,-86.63080804,0.24320190318881532,340.22753273190546
si-phonon-v104-001,-86.63080804,0.2432021682091354,340.22753273190546
si-phonon-v96-000,-86.61012485,0.2887940861035851,314.05618397508493
si-phonon-v96-001,-86.61012484,0.28880419374986455,314.05618397508493
si-phonon-v98-000,-86.7287072,0.2764169214322278,320.59902146015804
si-phonon-v98-001,-86.7287072,0.27643197873618186,320.59902146015804
si-qha-static-v100,-10.84830721,0.0,40.89273240232651
si-qha-static-v102,-10.84388942,0.0,41.7105868691258
si-qha-static-v104,-10.83130901,0.0,42.52844159148821
si-qha-static-v96,-10.82886164,0.0,39.25702277858944
si-qha-static-v98,-10.84363673,0.0,40.07487746120208
si-tensile-0.04,-43.27322052,0.013443099870758977,170.113765824172
si-tensile-0.08,-42.9211565,0.01205307167486363,176.65660322431262
si-tensile-0.12,-42.36328172,0.010525048664994381,183.1994403253679
si-tensile-0.16,-41.62520214,0.010385554518974903,189.74227742645817
si-tensile-0.20,-40.74693974,0.008727540289044789,196.28511452751363
si-tensile-0.24,-39.77199512,0.011159213090724632,202.827951628608
si-tensile-0.28,-38.71904278,0.01198155246933802,209.37078872969803
si-tensile-0.32,-37.64536923,0.00543566674248891,215.9136261297998
si-vacancy,-78.25602425,0.01433003555796705,327.1418574240633
si-lobster-scf,-10.84063813,4.070626487409524e-07,40.89273240232651
nacl-density,-6.8131361,0.0,46.29825000000002