{ "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" [ "Hf" "Hf" ] } "a" { "source-value" [ 5.77862 5.39143 5.151466 4.977119 4.840103 4.727218 4.631222 4.547715 4.473816 4.407543 4.347466 4.292526 4.241913 4.194995 4.151269 4.110328 4.071839 4.035524 4.001151 3.968523 3.93747 3.907849 3.879532 3.85241 3.824991 3.796735 3.76759 3.737499 3.706397 3.674214 3.640872 3.606286 3.570358 3.53298 3.494031 3.453371 3.410844 3.366271 3.319444 3.270123 3.218027 3.162826 3.104126 3.041453 2.97423 2.901745 2.823101 2.737157 2.642414 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.77862e-10 5.39143e-10 5.151466000000001e-10 4.977119e-10 4.840103000000001e-10 4.727218e-10 4.6312220000000003e-10 4.5477150000000004e-10 4.4738160000000005e-10 4.407543000000001e-10 4.3474659999999997e-10 4.292526e-10 4.2419130000000006e-10 4.194995e-10 4.1512690000000004e-10 4.110328e-10 4.071839e-10 4.0355239999999996e-10 4.0011510000000005e-10 3.968523e-10 3.93747e-10 3.9078490000000003e-10 3.8795320000000003e-10 3.85241e-10 3.824991e-10 3.796735e-10 3.7675900000000004e-10 3.7374990000000005e-10 3.7063970000000003e-10 3.6742140000000004e-10 3.640872e-10 3.606286e-10 3.5703580000000005e-10 3.53298e-10 3.494031e-10 3.453371e-10 3.4108440000000003e-10 3.366271e-10 3.319444e-10 3.270123e-10 3.2180270000000005e-10 3.162826e-10 3.104126e-10 3.0414530000000003e-10 2.97423e-10 2.9017450000000003e-10 2.823101e-10 2.737157e-10 2.642414e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 4.3324 6.48418 8.37977 10.1157 11.7295 13.2444 14.6695 16.0092 17.2678 18.4479 19.5524 20.5803 21.5315 22.4082 23.2104 23.9365 24.5828 25.1479 25.6304 26.0288 26.3417 26.5685 26.706 26.7522 26.7001 26.526 26.1988 25.6777 24.9099 23.8279 22.3452 20.349 17.6916 14.1755 9.53631 3.42088 -4.66685 -15.4179 -29.8074 -49.2423 -75.7995 -112.612 -164.535 -239.3 -349.663 -517.571 -782.585 -1220.25 -1985.21 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.941270049141599e-19 1.038880168665012e-18 1.342587169229418e-18 1.62071381765538e-18 1.8792730828502997e-18 2.12198682113496e-18 2.3503130132462996e-18 2.56495661690328e-18 2.76660656805852e-18 2.95567943263686e-18 3.1326398418621595e-18 3.29732757807102e-18 3.4497266194971e-18 3.59018944499988e-18 3.71871605457936e-18 3.835050099974099e-18 3.9385987758295195e-18 4.02913777741686e-18 4.10644280000736e-18 4.17027351710592e-18 4.220405623983779e-18 4.2567429900428995e-18 4.2787729187604e-18 4.28617497480948e-18 4.27782763454634e-18 4.2499337393483996e-18 4.19751051988392e-18 4.11402109548618e-18 3.99100597352766e-18 3.81765046172886e-18 3.580095732205679e-18 3.2602692325266e-18 2.83450681380744e-18 2.2711654875267e-18 1.5278853056580539e-18 5.480854003717919e-19 -7.477118024382899e-19 -2.4702199125348596e-18 -4.77567198002916e-18 -7.88948624644182e-18 -1.2144418776888299e-17 -1.8042431510800798e-17 -2.6361413247518998e-17 -3.834008685162e-17 -5.60221888374342e-17 -8.29240162636014e-17 -1.25383940111889e-16 -1.9550560376384998e-16 -3.1806570755831397e-16 ] } }