{ "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" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 5.81734 5.427557 5.185986 5.010471 4.872538 4.758896 4.662258 4.578191 4.503798 4.43708 4.376601 4.321294 4.270342 4.223109 4.179091 4.137876 4.099129 4.06257 4.027967 3.99512 3.96386 3.93404 3.905534 3.87823 3.859642 3.840079 3.819433 3.797577 3.77436 3.749601 3.723082 3.694532 3.663614 3.6299 3.592833 3.551672 3.5054 3.452563 3.390987 3.317196 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.817339999999999e-10 5.427557000000001e-10 5.185986e-10 5.010471e-10 4.872538e-10 4.758896e-10 4.662258e-10 4.5781910000000005e-10 4.503798e-10 4.43708e-10 4.376601e-10 4.321294e-10 4.2703420000000007e-10 4.223109e-10 4.179091e-10 4.1378760000000004e-10 4.099129e-10 4.0625700000000003e-10 4.0279670000000003e-10 3.99512e-10 3.9638600000000003e-10 3.93404e-10 3.905534e-10 3.87823e-10 3.859642e-10 3.840079e-10 3.8194330000000005e-10 3.7975770000000003e-10 3.77436e-10 3.7496010000000005e-10 3.7230819999999997e-10 3.6945320000000004e-10 3.663614e-10 3.6299e-10 3.5928330000000004e-10 3.551672e-10 3.5054e-10 3.452563e-10 3.390987e-10 3.317196e-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" [ 0.106222 0.158717 0.20517 0.247681 0.287176 0.324126 0.358954 0.391729 0.422518 0.451457 0.478516 0.503698 0.527023 0.548509 0.56809 0.585745 0.601449 0.615211 0.626949 0.636626 0.644201 0.649663 0.653029 0.654161 0.653591 0.651672 0.64802 0.642125 0.633304 0.620629 0.602813 0.578039 0.543697 0.495953 0.428746 0.332526 0.191343 -0.0232564 -0.365672 -0.952362 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.701864050146176e-20 2.542926667235136e-20 3.28718577289536e-20 3.9682870761636486e-20 4.601066732548608e-20 5.193070993934209e-20 5.751077067426433e-20 6.276190454893632e-20 6.769484614671745e-20 7.233138506965056e-20 7.666671478787328e-20 8.070131595437185e-20 8.443839292238785e-20 8.788082960983873e-20 9.101805165102721e-20 9.38466944750496e-20 9.636275264035393e-20 9.856766810589887e-20 1.0044830302339392e-19 1.0199872933934209e-19 1.032123781295981e-19 1.0408748699987905e-19 1.0462677965044033e-19 1.0480814604391489e-19 1.0471682197652929e-19 1.0440936428299777e-19 1.0382424938108161e-19 1.0287976626312e-19 1.0146648626591233e-19 9.943572739904833e-20 9.658128953143105e-20 9.261205717106112e-20 8.710986221990976e-20 7.946043016156224e-20 6.869268174615169e-20 5.327653830081408e-20 3.0656528115373445e-20 -3.726086036397312e-21 -5.858711292811777e-20 -1.5258521309383298e-19 ] } }