{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.28298 3.996005 3.818149 3.688927 3.587374 3.503706 3.432557 3.370663 3.315891 3.266771 3.222243 3.181523 3.14401 3.109236 3.076827 3.046483 3.017955 2.99104 2.965563 2.94138 2.918365 2.89641 2.875422 2.85532 2.841635 2.827232 2.812032 2.79594 2.778847 2.760619 2.741095 2.720075 2.697312 2.672491 2.645201 2.614897 2.58083 2.541929 2.496595 2.442268 2.374474 2.28426 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2829800000000004e-10 3.996005e-10 3.818149e-10 3.6889270000000004e-10 3.5873740000000004e-10 3.5037060000000004e-10 3.4325570000000004e-10 3.370663e-10 3.315891e-10 3.266771e-10 3.2222430000000003e-10 3.181523e-10 3.1440100000000003e-10 3.109236e-10 3.0768270000000005e-10 3.046483e-10 3.0179550000000005e-10 2.99104e-10 2.965563e-10 2.94138e-10 2.918365e-10 2.89641e-10 2.875422e-10 2.85532e-10 2.841635e-10 2.827232e-10 2.812032e-10 2.79594e-10 2.7788469999999997e-10 2.760619e-10 2.741095e-10 2.720075e-10 2.6973120000000003e-10 2.672491e-10 2.645201e-10 2.614897e-10 2.5808300000000003e-10 2.541929e-10 2.4965950000000004e-10 2.442268e-10 2.3744740000000004e-10 2.2842600000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.835776 1.37578 1.81986 2.21186 2.52894 2.781 2.98194 3.14652 3.28795 3.4141 3.52749 3.62839 3.71697 3.7938 3.85988 3.91673 3.96564 4.00766 4.04325 4.07234 4.09477 4.11049 4.11956 4.12244 4.1211 4.11678 4.10901 4.0972 4.08063 4.05837 4.02904 3.99073 3.94083 3.87593 3.79163 3.67996 3.52629 3.30683 2.98273 2.51036 1.83866 0.873961 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.339060767425741e-19 2.2042425513642242e-19 2.9157371451290884e-19 3.5437903804826885e-19 4.0518085434059524e-19 4.455653182444801e-19 4.777594552628352e-19 5.041280780879616e-19 5.26787662035936e-19 5.46999120107328e-19 5.651662008105792e-19 5.813321629144513e-19 5.955242434214976e-19 6.07833766399104e-19 6.184209495093504e-19 6.2752932359859845e-19 6.353655694509312e-19 6.420979156115328e-19 6.4780006220496e-19 6.524607939948671e-19 6.560544761553215e-19 6.585730978032193e-19 6.600262719982848e-19 6.604876988650753e-19 6.602730071978881e-19 6.595808668977025e-19 6.583359756633408e-19 6.56443805074176e-19 6.537889984135105e-19 6.502225532556096e-19 6.455233692268032e-19 6.393854305925184e-19 6.313905692547264e-19 6.209924429857344e-19 6.074860940723904e-19 5.895945877479169e-19 5.649739396160833e-19 5.298125714960064e-19 4.778860272158785e-19 4.022040101791488e-19 2.945858065600128e-19 1.4002398816909888e-19 ] } }