{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" [ 9.40578 8.775558 8.384972 8.10119 7.878172 7.69443 7.53818 7.402256 7.281973 7.1741 7.076314 6.98689 6.904508 6.82814 6.756968 6.690329 6.627681 6.568572 6.512623 6.459515 6.408971 6.360757 6.314666 6.27052 6.240466 6.208836 6.175455 6.140117 6.102579 6.062549 6.019671 5.97351 5.923521 5.869011 5.80908 5.74253 5.667714 5.582285 5.482727 5.363419 5.214539 5.01642 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.40578e-10 8.775558e-10 8.384972e-10 8.101190000000001e-10 7.878172e-10 7.69443e-10 7.53818e-10 7.402256000000001e-10 7.281973e-10 7.1741e-10 7.076314e-10 6.98689e-10 6.904508e-10 6.828140000000001e-10 6.756968e-10 6.690329e-10 6.627681e-10 6.568572e-10 6.512623e-10 6.459515e-10 6.408971e-10 6.360757000000001e-10 6.314666e-10 6.27052e-10 6.240466e-10 6.208836e-10 6.175455e-10 6.140117000000001e-10 6.102579000000001e-10 6.062549e-10 6.019671e-10 5.97351e-10 5.923521000000001e-10 5.869011e-10 5.80908e-10 5.742530000000001e-10 5.667714e-10 5.582285e-10 5.482726999999999e-10 5.363419e-10 5.214539e-10 5.016420000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.0302826 0.172294 0.263347 0.325647 0.375591 0.418247 0.455533 0.488405 0.517464 0.543144 0.565789 0.585685 0.603073 0.618162 0.631135 0.642151 0.651355 0.658871 0.664816 0.66929 0.672386 0.674188 0.674773 0.674491 0.673568 0.671862 0.669196 0.665346 0.660022 0.652844 0.643308 0.630734 0.614177 0.592301 0.563147 0.523743 0.469358 0.391864 0.278322 0.114746 -0.164768 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 4.851807373703808e-21 2.7604541870411525e-20 4.219284065578176e-20 5.217440100336577e-20 6.017631191828929e-20 6.701055651197376e-20 7.298443226028865e-20 7.82511072481824e-20 8.290687229056514e-20 8.702126185277952e-20 9.064939081058113e-20 9.383708141532481e-20 9.662294612357185e-20 9.904047042669696e-20 1.0111897415686081e-19 1.0288393192233409e-19 1.0435857528411841e-19 1.0556277123231168e-19 1.0651526523337728e-19 1.0723207905352321e-19 1.0772811293532289e-19 1.0801682516239105e-19 1.0811055249470783e-19 1.0806537111400127e-19 1.0791749021190143e-19 1.0764415888039296e-19 1.0721701859328769e-19 1.0660018059427968e-19 1.0574718176136576e-19 1.0459713938295552e-19 1.0306930375736064e-19 1.0105472687436673e-19 9.840200304330816e-20 9.489708146764608e-20 9.022609574736576e-20 8.391287899076543e-20 7.519944143854464e-20 6.278353393331712e-20 4.4592100145429766e-20 1.838433585303168e-20 -2.639874374559744e-20 ] } }