{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.49444 7.925281 7.572539 7.316253 7.114844 6.948905 6.807794 6.68504 6.576412 6.478991 6.39068 6.309919 6.23552 6.166552 6.102275 6.042093 5.985515 5.932133 5.881606 5.833643 5.787997 5.744454 5.702829 5.66296 5.622654 5.581119 5.538277 5.494043 5.448324 5.401016 5.352005 5.301164 5.248351 5.193407 5.136151 5.076383 5.01387 4.948348 4.879513 4.807012 4.730433 4.64929 4.563002 4.470874 4.372058 4.265506 4.149902 4.023566 3.884297 3.729144 3.554012 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.494440000000002e-10 7.925281000000001e-10 7.572539e-10 7.316253e-10 7.114844e-10 6.948905e-10 6.807794e-10 6.685040000000001e-10 6.576412000000001e-10 6.478991e-10 6.39068e-10 6.309919e-10 6.23552e-10 6.166552e-10 6.102275e-10 6.042093e-10 5.985515e-10 5.932133000000001e-10 5.881605999999999e-10 5.833643000000001e-10 5.787997e-10 5.744454e-10 5.702829e-10 5.662960000000001e-10 5.622654e-10 5.581119e-10 5.538277e-10 5.494043e-10 5.448324e-10 5.401016e-10 5.352005e-10 5.301164e-10 5.248351000000001e-10 5.193407e-10 5.136151e-10 5.076383e-10 5.01387e-10 4.948348e-10 4.879513000000001e-10 4.807012000000001e-10 4.730433e-10 4.64929e-10 4.5630020000000003e-10 4.4708740000000005e-10 4.3720580000000004e-10 4.2655060000000003e-10 4.149902e-10 4.023566e-10 3.8842970000000003e-10 3.729144e-10 3.5540120000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.89405 1.13353 1.32671 1.52549 1.73892 1.93756 2.10092 2.23095 2.33703 2.4274 2.50773 2.58156 2.65078 2.71591 2.7765 2.83157 2.88013 2.9215 2.95543 2.98208 3.0018 3.01514 3.02272 3.02511 3.02266 3.01502 3.00175 2.98241 2.95657 2.92381 2.88373 2.83596 2.78011 2.71586 2.64281 2.56077 2.468 2.35678 2.22134 2.05527 1.85136 1.60098 1.29199 0.906456 0.420248 -0.196435 -0.984732 -2.01971 -3.44229 -5.48105 -8.51194 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4324260196277e-19 1.8161152799380197e-19 2.12562376209414e-19 2.4441044334006597e-19 2.78605699239528e-19 3.1043133589730397e-19 3.3660449339032796e-19 3.5743759616222996e-19 3.7443348589570196e-19 3.8891235613715996e-19 4.0178264103808195e-19 4.13611511126904e-19 4.24701777787452e-19 4.35136754204694e-19 4.448443424300999e-19 4.53667529153538e-19 4.614476988882419e-19 4.680759036230999e-19 4.735120889422619e-19 4.77781889671872e-19 4.809413819941199e-19 4.83078685623876e-19 4.842931355124479e-19 4.84676055727974e-19 4.84283522452644e-19 4.830594595042679e-19 4.8093337111095e-19 4.778347615007939e-19 4.73694737078538e-19 4.68446006425554e-19 4.62024482476482e-19 4.54370884695864e-19 4.45422728194974e-19 4.35128743321524e-19 4.2342484301015397e-19 4.10280585904818e-19 3.954171932712e-19 3.77597784747852e-19 3.55897904416956e-19 3.29290557056118e-19 2.9662057331222396e-19 2.56505274750132e-19 2.0699961893616597e-19 1.452302622949104e-19 6.73311526085232e-20 -3.1472356709978995e-20 -1.577714601152088e-19 -3.2359321694561395e-19 -5.51515660545186e-19 -8.7816102397857e-19 -1.3637631378009959e-18 ] } }