{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 5.94114 5.543062 5.296349 5.117098 4.97623 4.860169 4.761475 4.675618 4.599642 4.531504 4.469738 4.413253 4.361217 4.31298 4.268024 4.225932 4.18636 4.149024 4.113684 4.080138 4.048213 4.017758 3.988645 3.96076 3.93257 3.903519 3.873555 3.842617 3.81064 3.777552 3.743274 3.707715 3.670776 3.632347 3.592302 3.550499 3.506776 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.94114e-10 5.543062000000001e-10 5.296349000000001e-10 5.117098e-10 4.97623e-10 4.860169e-10 4.761475e-10 4.675618e-10 4.5996420000000003e-10 4.531504e-10 4.469738000000001e-10 4.413253e-10 4.361217e-10 4.31298e-10 4.2680239999999995e-10 4.225932e-10 4.18636e-10 4.1490239999999997e-10 4.113684e-10 4.080138e-10 4.0482129999999995e-10 4.017758e-10 3.988645e-10 3.96076e-10 3.93257e-10 3.9035190000000004e-10 3.873555e-10 3.8426170000000005e-10 3.81064e-10 3.777552e-10 3.743274e-10 3.707715e-10 3.670776e-10 3.6323470000000005e-10 3.592302e-10 3.550499e-10 3.506776e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0510223 0.0762375 0.0985506 0.11897 0.137942 0.15569 0.172419 0.188163 0.202952 0.216852 0.22985 0.241946 0.25315 0.26347 0.272877 0.281357 0.2889 0.295511 0.301149 0.305798 0.309436 0.31206 0.313677 0.314221 0.313608 0.311555 0.307684 0.301514 0.292431 0.279648 0.262153 0.238657 0.207373 0.165984 0.111395 0.0393707 -0.0558774 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.17467368729382e-21 1.2214594113457498e-20 1.578954685866804e-20 1.9061095414698e-20 2.21007449247228e-20 2.4944288014745997e-20 2.7624569305764594e-20 3.0147036198334195e-20 3.25164952223568e-20 3.4743520743616793e-20 3.682602993249e-20 3.87640227889764e-20 4.055910148971e-20 4.2212547775997996e-20 4.3719715335601795e-20 4.50783611212338e-20 4.6286882956259996e-20 4.73460819289974e-20 4.8249389115246596e-20 4.8994241032393196e-20 4.9577112891842397e-20 4.9997524040604e-20 5.0256596002321796e-20 5.034375441121139e-20 5.0245540983547195e-20 4.9916614120587e-20 4.9296411545565596e-20 4.8307868562387595e-20 4.6852611525725395e-20 4.48045491344832e-20 4.20015411133002e-20 3.82370668940538e-20 3.32248175122482e-20 2.6593568641785597e-20 1.7847446614442998e-20 6.30788156042238e-21 -8.95254646486716e-21 ] } }