{ "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" [ "Cd" "Cd" ] } "a" { "source-value" [ 4.75497 4.436369 4.238914 4.095451 3.982707 3.889819 3.810829 3.742114 3.681307 3.626773 3.577339 3.532131 3.490484 3.451878 3.415898 3.382209 3.350538 3.320656 3.292372 3.265524 3.239972 3.215598 3.192298 3.16998 3.147418 3.124168 3.100186 3.075425 3.049832 3.02335 2.995915 2.967456 2.937893 2.907136 2.875086 2.841629 2.806636 2.769958 2.731426 2.690842 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.75497e-10 4.436369e-10 4.2389140000000005e-10 4.095451e-10 3.9827070000000003e-10 3.889819e-10 3.8108290000000004e-10 3.742114e-10 3.681307e-10 3.626773e-10 3.577339e-10 3.532131e-10 3.490484e-10 3.451878e-10 3.415898e-10 3.382209e-10 3.3505379999999997e-10 3.320656e-10 3.292372e-10 3.265524e-10 3.239972e-10 3.215598e-10 3.1922980000000003e-10 3.1699799999999997e-10 3.147418e-10 3.124168e-10 3.100186e-10 3.0754250000000003e-10 3.049832e-10 3.02335e-10 2.995915e-10 2.967456e-10 2.937893e-10 2.907136e-10 2.875086e-10 2.841629e-10 2.806636e-10 2.769958e-10 2.731426e-10 2.690842e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.048656 0.0728221 0.0941109 0.113607 0.131731 0.148744 0.164749 0.179795 0.19393 0.207183 0.219587 0.231131 0.241814 0.251659 0.260669 0.268823 0.276082 0.282428 0.287847 0.292321 0.295835 0.298382 0.299926 0.300446 0.29986 0.297905 0.29423 0.288378 0.279755 0.267603 0.250952 0.228534 0.19869 0.159201 0.107099 0.0384194 -0.0524092 -0.173153 -0.334757 -0.553024 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.7955506303904e-21 1.1667386705881139e-20 1.507822849847106e-20 1.8201848085883798e-20 2.1105633017345397e-20 2.3831416124769595e-20 2.63956998274866e-20 2.8806334791003e-20 3.1071011463162e-20 3.31943761562022e-20 3.51817160530158e-20 3.7031268759305396e-20 3.87428740574076e-20 4.03202169535806e-20 4.1763778100814595e-20 4.3070192928178196e-20 4.42332129467988e-20 4.5249954238735197e-20 4.61181737566998e-20 4.68349875827514e-20 4.7397992451939e-20 4.7806066840618796e-20 4.80534429129084e-20 4.8136756097876395e-20 4.8042868547124e-20 4.7729643015176993e-20 4.7140843102182e-20 4.62032493359652e-20 4.4821692424466993e-20 4.2874727378830195e-20 4.02069430655568e-20 3.661518348745559e-20 3.1833647540946e-20 2.55068122309434e-20 1.7159151532476598e-20 6.155466497229959e-21 -8.39687956466328e-21 -2.7742169070700196e-20 -5.36339843467938e-20 -8.860421308412159e-20 ] } }