{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.89796 9.23476 8.823735 8.525104 8.290416 8.097059 7.932633 7.789597 7.66302 7.549502 7.4466 7.352495 7.265803 7.185439 7.110543 7.040417 6.97449 6.912288 6.853412 6.797524 6.744336 6.693599 6.645096 6.59864 6.567014 6.533728 6.4986 6.461413 6.42191 6.379785 6.334663 6.286087 6.233482 6.176119 6.113052 6.043019 5.964288 5.874388 5.76962 5.644068 5.487397 5.27891 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.89796e-10 9.23476e-10 8.823735e-10 8.525104000000001e-10 8.290416000000001e-10 8.097059e-10 7.932633e-10 7.789597e-10 7.66302e-10 7.549502e-10 7.4466e-10 7.352495000000001e-10 7.265803e-10 7.185439e-10 7.110543e-10 7.040417e-10 6.974490000000001e-10 6.912288e-10 6.853412e-10 6.797524e-10 6.744336e-10 6.693599e-10 6.645096e-10 6.59864e-10 6.567014e-10 6.533728000000001e-10 6.4986e-10 6.461413e-10 6.421909999999999e-10 6.379785e-10 6.334663e-10 6.286087000000001e-10 6.233482000000001e-10 6.176119e-10 6.113052e-10 6.043019000000001e-10 5.964288e-10 5.874388e-10 5.76962e-10 5.644068e-10 5.487397e-10 5.27891e-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" [ 0.110163 0.300248 0.46195 0.634279 0.794963 0.940357 1.07051 1.18609 1.28853 1.37939 1.46012 1.53198 1.59607 1.65331 1.7045 1.75028 1.79066 1.8253 1.85404 1.87686 1.89386 1.90517 1.91103 1.9126 1.91204 1.91049 1.90831 1.90595 1.90392 1.90213 1.9002 1.89755 1.89331 1.88619 1.87416 1.85408 1.82047 1.76164 1.65501 1.45753 1.1211 0.592897 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.765005830771904e-20 4.810503260419584e-20 7.401254899785601e-20 1.0162269848644033e-19 1.2736711330010304e-19 1.5066180006056258e-19 1.7151460943326083e-19 1.9003256681646722e-19 2.064452641199424e-19 2.210026408965312e-19 2.339370127562496e-19 2.454502539533184e-19 2.5571860391602563e-19 2.648894628934848e-19 2.7309100501536e-19 2.804257695853824e-19 2.868953587801728e-19 2.92445298594624e-19 2.970499542028032e-19 3.007061212514688e-19 3.034298215068288e-19 3.052418832649536e-19 3.0618075876474243e-19 3.0643230049420805e-19 3.063425786034432e-19 3.060942412272192e-19 3.057449667238848e-19 3.05366853041376e-19 3.050416111873536e-19 3.0475482157223043e-19 3.04445601484416e-19 3.0402102467990403e-19 3.0334170179268484e-19 3.0220095203867523e-19 3.0027353356385284e-19 2.970563629092864e-19 2.916714472867776e-19 2.822458422266112e-19 2.6516183291902084e-19 2.335220490114624e-19 1.79620020957888e-19 9.499257119424577e-20 ] } }