{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.40785 4.112508 3.929468 3.796479 3.691965 3.605858 3.532635 3.468936 3.412568 3.362016 3.31619 3.274283 3.235676 3.199888 3.166535 3.135306 3.105947 3.078246 3.052027 3.027139 3.003453 2.980858 2.959258 2.93857 2.924486 2.909663 2.89402 2.877459 2.859868 2.841108 2.821014 2.799382 2.775956 2.75041 2.722325 2.691137 2.656077 2.616042 2.569386 2.513474 2.443705 2.35086 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.40785e-10 4.112508e-10 3.929468e-10 3.7964790000000003e-10 3.6919650000000005e-10 3.605858e-10 3.532635e-10 3.468936e-10 3.412568e-10 3.3620160000000003e-10 3.3161900000000003e-10 3.274283e-10 3.235676e-10 3.1998880000000003e-10 3.166535e-10 3.135306e-10 3.105947e-10 3.078246e-10 3.0520269999999997e-10 3.0271390000000004e-10 3.003453e-10 2.980858e-10 2.9592580000000004e-10 2.93857e-10 2.9244860000000003e-10 2.9096630000000004e-10 2.8940199999999997e-10 2.877459e-10 2.8598680000000003e-10 2.841108e-10 2.821014e-10 2.799382e-10 2.775956e-10 2.75041e-10 2.722325e-10 2.691137e-10 2.6560769999999997e-10 2.6160420000000005e-10 2.569386e-10 2.513474e-10 2.443705e-10 2.35086e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.676988 1.04507 1.34367 1.60653 1.82224 1.99469 2.1428 2.28335 2.42425 2.56882 2.71481 2.85671 2.98919 3.10793 3.21044 3.296 3.36458 3.41704 3.45604 3.48407 3.50315 3.51498 3.52101 3.52271 3.522 3.51987 3.51629 3.51128 3.50482 3.49689 3.48729 3.4757 3.46065 3.43955 3.40839 3.36039 3.28348 3.1558 2.9331 2.54657 1.84993 0.225035 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.084654355098392e-19 1.6743867348943797e-19 2.1527966778067798e-19 2.57394482782002e-19 2.91955034954016e-19 3.19584571007346e-19 3.4331440913351997e-19 3.6583300172438998e-19 3.8840767049744994e-19 4.11570338095188e-19 4.34960514774954e-19 4.57695401211414e-19 4.7892103725864595e-19 4.97945282610762e-19 5.14369195285896e-19 5.280774185663999e-19 5.39065145922372e-19 5.47470164544336e-19 5.537186534169359e-19 5.58209554522038e-19 5.6126650753971e-19 5.63161882497732e-19 5.641279950080339e-19 5.64400365035814e-19 5.642866104947999e-19 5.63945346871758e-19 5.633717676367859e-19 5.62569077143152e-19 5.61534071037588e-19 5.602635449668259e-19 5.587254553981859e-19 5.568685326793799e-19 5.544572568452099e-19 5.5107666414746995e-19 5.4608428175592595e-19 5.38393833912726e-19 5.260714934206319e-19 5.0561490215772e-19 4.6993442851853995e-19 4.0800549508453796e-19 2.96391462053562e-19 3.6054581883219e-20 ] } }