{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 8.17009 7.622664 7.283392 7.036892 6.843174 6.683571 6.547849 6.429782 6.325302 6.231601 6.146662 6.068985 5.997427 5.931092 5.86927 5.811386 5.756968 5.705625 5.657027 5.610895 5.566992 5.525112 5.485076 5.44673 5.420624 5.39315 5.364153 5.333458 5.300851 5.26608 5.228835 5.188738 5.145316 5.097967 5.045909 4.988101 4.923114 4.848908 4.762428 4.658794 4.529472 4.35738 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17009e-10 7.622664000000001e-10 7.283392e-10 7.036892e-10 6.843174000000001e-10 6.683571e-10 6.547849e-10 6.429782e-10 6.325302e-10 6.231601000000001e-10 6.146662e-10 6.068985e-10 5.997427000000001e-10 5.931092e-10 5.86927e-10 5.811386e-10 5.756968e-10 5.705625e-10 5.657027000000001e-10 5.610895e-10 5.566992e-10 5.525112000000001e-10 5.485076000000001e-10 5.44673e-10 5.420624e-10 5.39315e-10 5.364153e-10 5.333458e-10 5.300851e-10 5.26608e-10 5.228835e-10 5.188738e-10 5.145316000000001e-10 5.097967e-10 5.045909e-10 4.988101000000001e-10 4.923114000000001e-10 4.848908e-10 4.762428e-10 4.658794000000001e-10 4.529472e-10 4.35738e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.576741 0.88454 1.1993 1.57063 1.97324 2.3299 2.61925 2.85591 3.05714 3.23543 3.39877 3.55153 3.69514 3.82885 3.95079 4.05904 4.15238 4.23046 4.29373 4.343 4.37938 4.40402 4.41805 4.42251 4.42043 4.4137 4.40148 4.38278 4.35636 4.32068 4.27375 4.21303 4.13514 4.03542 3.90737 3.7413 3.52249 3.21876 2.7622 2.03548 0.783957 -1.66394 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.240409464568127e-20 1.417189308162432e-19 1.92149042132544e-19 2.516426665927104e-19 3.1614789952273923e-19 3.73291130880192e-19 4.1965011140304004e-19 4.575672233108929e-19 4.898078234512512e-19 5.183730304234945e-19 5.445429833476416e-19 5.690178334069825e-19 5.920266918582912e-19 6.134493954550081e-19 6.329863371690433e-19 6.503298990892033e-19 6.652846156677504e-19 6.777944107229568e-19 6.879313822027584e-19 6.9582530641344e-19 7.016540249599104e-19 7.056017881535616e-19 7.0784964195254405e-19 7.085642127254208e-19 7.082309599882944e-19 7.071526951224962e-19 7.051948352918785e-19 7.021987650109825e-19 6.979658143788287e-19 6.922492481958145e-19 6.847302333144e-19 6.750018168729024e-19 6.625224631734912e-19 6.465455579108737e-19 6.260296862815296e-19 5.99422339139904e-19 5.643651125001792e-19 5.157022019966208e-19 4.42553226197376e-19 3.2611984681059844e-19 1.2560375771125058e-19 -2.665925766413952e-19 ] } }