{ "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 5.73484 5.350585 5.112439 4.939414 4.803437 4.691407 4.596139 4.513265 4.439926 4.374155 4.314534 4.26001 4.209781 4.163218 4.119824 4.079193 4.040996 4.004956 3.970844 3.938463 3.907646 3.878249 3.850147 3.82323 3.804906 3.78562 3.765267 3.743721 3.720833 3.696426 3.670282 3.642137 3.611658 3.578422 3.541881 3.501304 3.455687 3.403599 3.342897 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.73484e-10 5.350584999999999e-10 5.112439e-10 4.939414000000001e-10 4.803437e-10 4.691407e-10 4.5961390000000003e-10 4.513265e-10 4.439926e-10 4.3741550000000004e-10 4.3145340000000004e-10 4.2600100000000004e-10 4.2097810000000004e-10 4.1632179999999997e-10 4.1198240000000005e-10 4.079193e-10 4.040996e-10 4.004956e-10 3.970844e-10 3.938463e-10 3.907646e-10 3.878249e-10 3.8501470000000005e-10 3.82323e-10 3.804906e-10 3.7856200000000005e-10 3.765267e-10 3.743721e-10 3.720833e-10 3.6964260000000003e-10 3.670282e-10 3.642137e-10 3.611658e-10 3.5784220000000006e-10 3.541881e-10 3.5013040000000003e-10 3.4556870000000003e-10 3.4035989999999997e-10 3.342897e-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" [ 1.85326 2.76914 3.57961 4.32129 5.01038 5.65503 6.26268 6.83451 7.3717 7.87658 8.34868 8.78804 9.195 9.56986 9.9115 10.2195 10.4935 10.7336 10.9384 11.1073 11.2394 11.3347 11.3934 11.4132 11.4033 11.3698 11.3061 11.2032 11.0493 10.8282 10.5173 10.0851 9.48595 8.65296 7.48043 5.80171 3.33843 -0.405719 -6.37977 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.969249844263808e-19 4.436651367722112e-19 5.735167453581888e-19 6.923469809696833e-19 8.027513697323904e-19 9.060356855922624e-19 1.0033919479551743e-18 1.0950092136623809e-18 1.181076539555136e-18 1.2619672327860864e-18 1.3376059910540545e-18 1.4079992230655234e-18 1.4732014028256002e-18 1.533260595632909e-18 1.5879973577059201e-18 1.6373443976265602e-18 1.68124403703648e-18 1.719712297701888e-18 1.752524874895872e-18 1.7795856380211843e-18 1.800750391181952e-18 1.816019134378176e-18 1.825423911142272e-18 1.8285962208514562e-18 1.827010065996864e-18 1.821642774317184e-18 1.8114369092426883e-18 1.794950511814656e-18 1.770293013620544e-18 1.7348688885346563e-18 1.6850572173939841e-18 1.6158111438430082e-18 1.5198167316077763e-18 1.386357021271757e-18 1.1984970059530945e-18 9.29536412266157e-19 5.348754496177344e-19 -6.500334964143552e-20 -1.0221518340081215e-18 ] } }