{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Mg" "Mg" ] } "a" { "source-value" [ 5.3067 4.951131 4.730764 4.570656 4.44483 4.341164 4.253008 4.17632 4.108457 4.047596 3.992426 3.941973 3.895493 3.852407 3.812252 3.774655 3.739309 3.70596 3.674394 3.64443 3.615914 3.588711 3.562707 3.5378 3.520844 3.502998 3.484164 3.464227 3.443048 3.420463 3.396272 3.370228 3.342024 3.31127 3.277457 3.239909 3.197698 3.1495 3.093329 3.026016 2.942018 2.83024 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3067e-10 4.951131e-10 4.730764e-10 4.570656e-10 4.4448299999999997e-10 4.3411640000000004e-10 4.2530080000000007e-10 4.1763199999999995e-10 4.1084569999999996e-10 4.0475960000000003e-10 3.992426e-10 3.941973e-10 3.895493e-10 3.852407e-10 3.812252e-10 3.774655e-10 3.739309e-10 3.70596e-10 3.674394e-10 3.64443e-10 3.615914e-10 3.588711e-10 3.562707e-10 3.5378e-10 3.520844e-10 3.502998e-10 3.484164e-10 3.464227e-10 3.443048e-10 3.420463e-10 3.3962720000000003e-10 3.370228e-10 3.342024e-10 3.31127e-10 3.277457e-10 3.239909e-10 3.197698e-10 3.1495000000000003e-10 3.0933290000000005e-10 3.026016e-10 2.9420180000000003e-10 2.83024e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.649005 0.701973 0.768422 0.822529 0.882104 0.947576 1.01768 1.08821 1.15222 1.20732 1.25464 1.29465 1.32871 1.35815 1.38392 1.40641 1.42578 1.44286 1.45818 1.47191 1.48389 1.49354 1.4997 1.50177 1.50078 1.49759 1.49195 1.48369 1.47275 1.45879 1.44089 1.41819 1.38953 1.35276 1.30475 1.24142 1.15684 1.04039 0.87382 0.624608 0.229417 -0.47957 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.03982064634917e-19 1.1246847382988818e-19 1.231147773451548e-19 1.3178367445873858e-19 1.413286417557936e-19 1.5181841261391837e-19 1.6305031168891197e-19 1.7435046348851397e-19 1.84605996122748e-19 1.9343398937608799e-19 2.01015489208176e-19 2.0742579792081e-19 2.12882811536214e-19 2.1759961954671e-19 2.21728428732528e-19 2.2533172398239395e-19 2.28435140122452e-19 2.31171657813324e-19 2.3362619241661197e-19 2.35825980935094e-19 2.3774538854262596e-19 2.39291488994436e-19 2.4027842980098e-19 2.40610080364218e-19 2.40451464877452e-19 2.3994037053120596e-19 2.3903674290963e-19 2.37713345009946e-19 2.3596056377235e-19 2.33723925191286e-19 2.30856029016426e-19 2.27219088057246e-19 2.22627249824202e-19 2.16736046340984e-19 2.0904399632115e-19 1.98897411698028e-19 1.85346201727656e-19 1.6668885482472597e-19 1.40001398632188e-19 1.0007323430094721e-19 3.67566556842378e-20 -7.6835584836738e-20 ] } }