{ "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" [ "Au" "Au" ] } "a" { "source-value" [ 4.83123 4.50752 4.306897 4.161134 4.046582 3.952204 3.871947 3.80213 3.740348 3.684939 3.634712 3.588779 3.546465 3.507239 3.470682 3.436453 3.404274 3.373913 3.345175 3.317896 3.291935 3.26717 3.243495 3.22082 3.205383 3.189137 3.17199 3.153839 3.134558 3.113997 3.091973 3.068263 3.042586 3.014588 2.983804 2.949621 2.911193 2.867313 2.816175 2.754894 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.83123e-10 4.5075200000000004e-10 4.3068970000000005e-10 4.1611339999999997e-10 4.046582e-10 3.9522040000000003e-10 3.8719470000000003e-10 3.80213e-10 3.7403480000000003e-10 3.684939e-10 3.634712e-10 3.588779e-10 3.5464650000000003e-10 3.5072390000000006e-10 3.470682e-10 3.4364530000000005e-10 3.4042740000000003e-10 3.373913e-10 3.345175e-10 3.3178960000000003e-10 3.291935e-10 3.26717e-10 3.2434949999999997e-10 3.22082e-10 3.205383e-10 3.1891370000000003e-10 3.1719900000000004e-10 3.153839e-10 3.1345580000000003e-10 3.113997e-10 3.091973e-10 3.068263e-10 3.042586e-10 3.014588e-10 2.9838040000000003e-10 2.9496210000000003e-10 2.911193e-10 2.867313e-10 2.816175e-10 2.754894e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.732628 1.16942 1.5024 1.82953 2.10463 2.32157 2.5058 2.69032 2.87767 3.05973 3.22814 3.37091 3.48392 3.57254 3.64301 3.69932 3.74315 3.7769 3.80309 3.82366 3.83984 3.85256 3.8609 3.86384 3.8624 3.85767 3.84872 3.83386 3.81065 3.77537 3.72243 3.64328 3.52589 3.35337 3.1013 2.74214 2.24154 1.56672 0.670001 -0.598572 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1737994533434623e-19 1.8736173838959359e-19 2.40711015508992e-19 2.931230193052224e-19 3.371988981434304e-19 3.719565177550656e-19 4.0147341764006397e-19 4.310367806470656e-19 4.610535596377536e-19 4.902227871960384e-19 5.172050436669312e-19 5.400793192820928e-19 5.581855172737536e-19 5.723840064872832e-19 5.836745451340608e-19 5.926964016857856e-19 5.997187418147521e-19 6.051260879099521e-19 6.093221884798272e-19 6.126178657888128e-19 6.152101875612672e-19 6.172481562229248e-19 6.185843715246721e-19 6.190554114511873e-19 6.18824698017792e-19 6.180668684761536e-19 6.166329204005376e-19 6.142520859420289e-19 6.1053343400515205e-19 6.048809548869697e-19 5.963990318564544e-19 5.837178039028224e-19 5.649098525512512e-19 5.372691014892096e-19 4.96883035408704e-19 4.393392598960512e-19 3.591342982588032e-19 2.510162155339776e-19 1.0734599381126208e-19 -9.590180642654977e-20 ] } }