{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.39779 4.103122 3.920498 3.787813 3.683538 3.597627 3.52457 3.461017 3.404777 3.35434 3.308619 3.266808 3.228289 3.192582 3.159305 3.128147 3.098855 3.071218 3.045058 3.020227 2.996595 2.974051 2.952501 2.93186 2.910993 2.889489 2.867308 2.844407 2.820737 2.796245 2.770871 2.744549 2.717206 2.68876 2.659118 2.628174 2.595809 2.561887 2.526249 2.488714 2.449067 2.407057 2.362384 2.314687 2.263527 2.208362 2.148511 2.083103 2.011001 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.39779e-10 4.1031220000000003e-10 3.920498e-10 3.787813e-10 3.683538e-10 3.5976270000000004e-10 3.52457e-10 3.461017e-10 3.4047770000000004e-10 3.3543400000000003e-10 3.308619e-10 3.2668080000000005e-10 3.228289e-10 3.192582e-10 3.1593049999999997e-10 3.128147e-10 3.098855e-10 3.0712180000000003e-10 3.045058e-10 3.0202270000000004e-10 2.996595e-10 2.974051e-10 2.9525009999999997e-10 2.93186e-10 2.910993e-10 2.8894890000000003e-10 2.867308e-10 2.844407e-10 2.820737e-10 2.796245e-10 2.7708710000000003e-10 2.7445490000000003e-10 2.717206e-10 2.6887599999999997e-10 2.659118e-10 2.6281740000000003e-10 2.595809e-10 2.561887e-10 2.526249e-10 2.4887139999999997e-10 2.449067e-10 2.407057e-10 2.362384e-10 2.3146870000000003e-10 2.2635269999999998e-10 2.2083620000000001e-10 2.148511e-10 2.083103e-10 2.011001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.755288 1.21682 1.55031 1.81325 2.03288 2.22376 2.39237 2.54191 2.6748 2.79333 2.8998 2.99611 3.08353 3.16259 3.23324 3.29525 3.34845 3.39291 3.42894 3.45703 3.47778 3.49181 3.49975 3.50224 3.49972 3.49192 3.47858 3.45956 3.43491 3.40501 3.3703 3.32902 3.27943 3.21908 3.14422 3.04951 2.92789 2.77036 2.56561 2.29931 1.9531 1.50314 0.918046 0.156161 -0.839252 -2.15061 -3.90416 -6.29466 -9.65049 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2101047855405918e-19 1.9495605717838798e-19 2.48387045745654e-19 2.9051467816005e-19 3.25703283572592e-19 3.5628563116238396e-19 3.83299931388258e-19 4.0725888077309397e-19 4.2855020606231997e-19 4.47540805705122e-19 4.6459918032732e-19 4.80029743489374e-19 4.94035971623802e-19 5.067027800922059e-19 5.180221580114159e-19 5.279572553188499e-19 5.3648083501173e-19 5.43604112326494e-19 5.493767547387959e-19 5.538772689037019e-19 5.572017854192519e-19 5.59449639236754e-19 5.6072176748415e-19 5.61120709466016e-19 5.60716960954248e-19 5.594672631797279e-19 5.57329959549972e-19 5.54282619592104e-19 5.503332541892939e-19 5.45542746053634e-19 5.3998159095702e-19 5.33367805811868e-19 5.25422611883862e-19 5.1575347589767195e-19 5.037595816155479e-19 4.88585366714934e-19 4.69099694492226e-19 4.43860605976824e-19 4.1105603939567396e-19 3.68390075632254e-19 3.1292111838654e-19 2.4082957856307596e-19 1.470871850137164e-19 2.5019750534207397e-20 -1.344629944437768e-19 -3.4456570908467398e-19 -6.25515392739744e-19 -1.008515717097444e-18 -1.5461789584650658e-18 ] } }