case,energy_eV,max_force_eV_A,volume_A3,ionic_or_response_steps
si-elastic-xx--0.010-clamped,-43.39196341,0.015100072406799909,161.93521959736066,1
si-elastic-xx--0.010-relaxed,-43.39196341,0.015100072406799909,161.93521959736066,1
si-elastic-xx--0.005-clamped,-43.39776058,0.014952501113877237,162.75307416021906,1
si-elastic-xx--0.005-relaxed,-43.39776058,0.014952501113877237,162.75307416021906,1
si-elastic-xx-+0.000-clamped,-43.39961206,0.014810415932207981,163.57092872308178,1
si-elastic-xx-+0.000-relaxed,-43.39961206,0.014810415932207981,163.57092872308178,1
si-elastic-xx-+0.005-clamped,-43.39755051,0.014660326541960108,164.3887832859794,1
si-elastic-xx-+0.005-relaxed,-43.39755051,0.014660326541960108,164.3887832859794,1
si-elastic-xx-+0.010-clamped,-43.39161905,0.01450404382467524,165.2066381478882,1
si-elastic-xx-+0.010-relaxed,-43.39161905,0.01450404382467524,165.2066381478882,1
si-elastic-xy--0.010-clamped,-43.3944657,0.09743311830522002,163.56683980195834,1
si-elastic-xy--0.010-relaxed,-43.39583465,0.005874452497858843,163.56683980195834,3
si-elastic-xy--0.005-clamped,-43.39830576,0.05253719689928175,163.56990643084924,1
si-elastic-xy--0.005-relaxed,-43.3986609,0.014564821391452074,163.56990643084924,2
si-elastic-xy-+0.000-clamped,-43.39961206,0.014810415932207981,163.57092872308178,1
si-elastic-xy-+0.000-relaxed,-43.39961206,0.014810415932207981,163.57092872308178,1
si-elastic-xy-+0.005-clamped,-43.3983827,0.04870684445043222,163.56990637910366,1
si-elastic-xy-+0.005-relaxed,-43.39864587,0.012705274654618844,163.56990637910366,2
si-elastic-xy-+0.010-clamped,-43.39461919,0.0935988596411137,163.56683969588482,1
si-elastic-xy-+0.010-relaxed,-43.39579106,0.0055401788939527935,163.56683969588482,3
si-optics,-43.39978819,0.014789811273498387,163.57092872308178,1
fe-fm,-16.45980663,1.004987562112089e-07,23.63990300000001,1
fe-afm,-15.54009403,2.2360679774997898e-08,23.63990300000001,1
fe-nm,-15.29215462,8.306623862918076e-08,23.63990300000001,1
cu-workfunction,-17.70287388,0.00804392,151.01912164189818,1
water-vibrations,-14.22993196,0.6081963500005672,3172.809787975826,19
water-displace-0-0--1,-14.23434414,0.021624412598787512,3172.809787975826,1
water-displace-0-0-+1,-14.23434414,0.02162585985221628,3172.809787975826,1
water-displace-0-1--1,-14.23024308,0.6352318481426784,3172.809787975826,1
water-displace-0-1-+1,-14.23072623,0.5796398918584816,3172.809787975826,1
water-displace-0-2--1,-14.23200947,0.47821848385279475,3172.809787975826,1
water-displace-0-2-+1,-14.23223641,0.47943581193084994,3172.809787975826,1
water-displace-1-0--1,-14.23434414,0.02162439538076614,3172.809787975826,1
water-displace-1-0-+1,-14.23434414,0.021625491072808034,3172.809787975826,1
water-displace-1-1--1,-14.23072624,0.5796396328942576,3172.809787975826,1
water-displace-1-1-+1,-14.23024306,0.6352345319079765,3172.809787975826,1
water-displace-1-2--1,-14.23200948,0.47821833299078914,3172.809787975826,1
water-displace-1-2-+1,-14.2322364,0.4794371714325805,3172.809787975826,1
water-displace-2-0--1,-14.23434043,0.025543213736147218,3172.809787975826,1
water-displace-2-0-+1,-14.23434045,0.025542728439479603,3172.809787975826,1
water-displace-2-1--1,-14.22728702,0.9412676454550707,3172.809787975826,1
water-displace-2-1-+1,-14.22728704,0.9412664522586123,3172.809787975826,1
water-displace-2-2--1,-14.22993175,0.60818041,3172.809787975826,1
water-displace-2-2-+1,-14.22948084,0.62799357,3172.809787975826,1