{ "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" [ 4.87085 4.544484 4.342216 4.195257 4.079765 3.984613 3.903698 3.833309 3.771019 3.715156 3.664517 3.618208 3.575546 3.535998 3.499141 3.464632 3.432189 3.401579 3.372605 3.345102 3.318928 3.29396 3.270091 3.24723 3.231666 3.215286 3.197999 3.179699 3.16026 3.13953 3.117325 3.09342 3.067533 3.039304 3.008268 2.973804 2.93506 2.89082 2.839262 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.87085e-10 4.5444839999999997e-10 4.3422159999999997e-10 4.1952569999999997e-10 4.0797650000000004e-10 3.984613e-10 3.903698e-10 3.833309e-10 3.771019e-10 3.715156e-10 3.6645170000000004e-10 3.6182080000000005e-10 3.5755460000000004e-10 3.5359980000000004e-10 3.499141e-10 3.464632e-10 3.4321890000000004e-10 3.401579e-10 3.3726050000000004e-10 3.345102e-10 3.3189280000000004e-10 3.2939600000000004e-10 3.270091e-10 3.24723e-10 3.2316660000000003e-10 3.215286e-10 3.197999e-10 3.179699e-10 3.16026e-10 3.13953e-10 3.1173250000000004e-10 3.09342e-10 3.067533e-10 3.0393040000000003e-10 3.0082680000000005e-10 2.973804e-10 2.93506e-10 2.89082e-10 2.8392620000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.360353 0.733663 1.03156 1.28622 1.60421 1.96854 2.33627 2.67012 2.95298 3.18493 3.3719 3.52289 3.64676 3.75246 3.84772 3.93293 4.00726 4.07012 4.1212 4.16232 4.19451 4.2174 4.23097 4.23542 4.23327 4.22645 4.21425 4.19555 4.1689 4.13248 4.08399 4.0203 3.93639 3.82375 3.66899 3.45057 3.13314 2.65729 1.92784 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.77349156591802e-20 1.1754577158303417e-19 1.65274132856904e-19 2.0607516301834796e-19 2.5702277780291397e-19 3.15394879109436e-19 3.7431172047151796e-19 4.2780038739760795e-19 4.73119555666932e-19 5.10282042692562e-19 5.4023793921846e-19 5.64429204215226e-19 5.842753661805839e-19 6.01210373201964e-19 6.164727078174479e-19 6.301248549157619e-19 6.420338338362839e-19 6.52105116157608e-19 6.602890344040799e-19 6.6687718472308795e-19 6.72034591307934e-19 6.757019736231599e-19 6.77876127315498e-19 6.785890959176281e-19 6.78244627941318e-19 6.771519434769299e-19 6.7519728798344995e-19 6.7220121767787e-19 6.679314169482599e-19 6.62096289647232e-19 6.543273351489659e-19 6.441230721670199e-19 6.306792080311259e-19 6.126322904257499e-19 5.87837004837966e-19 5.52842262798138e-19 5.01984369905076e-19 4.25744794776186e-19 3.08874020209056e-19 ] } }