{ "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 3.850627 3.822182 3.792842 3.762548 3.731238 3.698839 3.665275 3.630457 3.594288 3.556659 3.517449 3.476516 3.433705 ] "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 3.850627e-10 3.8221820000000005e-10 3.792842e-10 3.762548e-10 3.731238e-10 3.698839e-10 3.665275e-10 3.630457e-10 3.5942880000000005e-10 3.556659e-10 3.5174490000000003e-10 3.4765160000000003e-10 3.433705e-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 0.652883 0.648609 0.640549 0.627703 0.608794 0.58218 0.545756 0.496839 0.431708 0.345539 0.23189 0.0819392 -0.116354 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.70186406416748e-20 2.5429266881857797e-20 3.2871857999777994e-20 3.96828710885754e-20 4.6010667704558396e-20 5.19307103671884e-20 5.75107711480836e-20 6.27619050660186e-20 6.76948467044412e-20 7.23313856655738e-20 7.66667154195144e-20 8.070131661925319e-20 8.44383936180582e-20 8.78808303338706e-20 9.101805240090599e-20 9.384669524823299e-20 9.63627534342666e-20 9.856766891797738e-20 1.0044830385096658e-19 1.019987301796884e-19 1.032123789799434e-19 1.0408748785743419e-19 1.0462678051243859e-19 1.048081469074074e-19 1.0460338873358219e-19 1.0391861844021059e-19 1.026272640732066e-19 1.005691079691702e-19 9.753955217193958e-20 9.3275519278212e-20 8.74397511065304e-20 7.960238366599259e-20 6.91672470310872e-20 5.53614511935726e-20 3.7152873965826e-20 1.312810716486528e-20 -1.86419660072436e-20 ] } }