{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.49399 7.924861 7.572138 7.315866 7.114467 6.948537 6.807434 6.684686 6.576063 6.478648 6.390341 6.309585 6.235189 6.166225 6.101952 6.041773 5.985198 5.931819 5.881294 5.833334 5.78769 5.744149 5.702527 5.66266 5.622357 5.580824 5.537984 5.493752 5.448035 5.40073 5.351722 5.300883 5.248073 5.193131 5.135879 5.076114 5.013604 4.948086 4.879255 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.493990000000001e-10 7.924861e-10 7.572138e-10 7.315866e-10 7.114467e-10 6.948537e-10 6.807434e-10 6.684686e-10 6.576063e-10 6.478648e-10 6.390341000000001e-10 6.309585e-10 6.235189e-10 6.166225e-10 6.101952e-10 6.041773e-10 5.985198e-10 5.931819e-10 5.881294e-10 5.833334e-10 5.787689999999999e-10 5.744149e-10 5.702527e-10 5.66266e-10 5.622357e-10 5.580824e-10 5.537984e-10 5.493752e-10 5.448035e-10 5.40073e-10 5.351722e-10 5.300883e-10 5.248073e-10 5.193131e-10 5.135879e-10 5.076114e-10 5.013604e-10 4.948086e-10 4.879255e-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" [ 0.573152 0.749832 0.893329 1.07636 1.23241 1.37451 1.52383 1.65514 1.75394 1.84207 1.92787 2.01425 2.10055 2.18443 2.26394 2.3398 2.41311 2.48456 2.55487 2.62107 2.67674 2.71747 2.74132 2.74887 2.74143 2.71874 2.67951 2.62213 2.54629 2.45268 2.34074 2.19702 1.99801 1.71746 1.30595 0.681424 -0.216264 -1.4136 -2.87891 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.18290742130368e-20 1.201363309825488e-19 1.4312708502745859e-19 1.7245188417722398e-19 1.97453850550794e-19 2.20220780519934e-19 2.4414448201882196e-19 2.65182663399876e-19 2.81012168543796e-19 2.95132151219238e-19 3.0887882673895796e-19 3.2271842850345e-19 3.3654521285487e-19 3.4998427046086196e-19 3.6272317687779594e-19 3.7487728882331996e-19 3.86622845727174e-19 3.98070397777104e-19 4.09335301690758e-19 4.1994171100783796e-19 4.28861028329316e-19 4.35386693759598e-19 4.392078850316879e-19 4.40417528390358e-19 4.39225508974662e-19 4.355901701921159e-19 4.2930483125693396e-19 4.2011154173104195e-19 4.0796063413878596e-19 3.9296265866791196e-19 3.7502789342691594e-19 3.52001410843068e-19 3.2011649364983397e-19 2.75167428182964e-19 2.0923625751722997e-19 1.091761610646816e-19 -3.46493127575376e-20 -2.2648368898223996e-19 -4.61252233338894e-19 ] } }