{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 9.70341 9.053246 8.6503 8.357538 8.127463 7.937907 7.776713 7.636488 7.512399 7.401112 7.300232 7.207978 7.122989 7.044205 6.970781 6.902034 6.837403 6.776423 6.718704 6.663915 6.611772 6.562032 6.514483 6.46894 6.437935 6.405304 6.370866 6.33441 6.295684 6.254387 6.210152 6.16253 6.110959 6.054724 5.992896 5.92424 5.847056 5.758924 5.656214 5.533131 5.379539 5.17515 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.70341e-10 9.053246000000001e-10 8.6503e-10 8.357538e-10 8.127463000000001e-10 7.937907e-10 7.776713000000001e-10 7.636488e-10 7.512399000000001e-10 7.401112e-10 7.300232e-10 7.207978e-10 7.122989e-10 7.044205e-10 6.970781e-10 6.902034e-10 6.837403000000001e-10 6.776423000000001e-10 6.718704e-10 6.663915000000001e-10 6.611772e-10 6.562032000000001e-10 6.514483e-10 6.468940000000001e-10 6.437935000000001e-10 6.405304e-10 6.370866000000001e-10 6.33441e-10 6.295683999999999e-10 6.254387000000001e-10 6.210152e-10 6.16253e-10 6.110959e-10 6.054724e-10 5.992896e-10 5.92424e-10 5.847056000000001e-10 5.758924000000001e-10 5.656214000000001e-10 5.533131e-10 5.379539000000001e-10 5.17515e-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" [ -0.145366 -0.0761049 -0.00954175 0.0538349 0.11502 0.175355 0.236651 0.302037 0.380037 0.684558 0.8092 0.876076 0.923614 0.960204 0.989323 1.01282 1.03183 1.04711 1.0592 1.06852 1.07538 1.08005 1.08272 1.08358 1.08317 1.08184 1.07942 1.07565 1.07026 1.06285 1.05294 1.03987 1.02276 1.00038 0.970992 0.932056 0.879678 0.807549 0.704772 0.55086 0.302379 -0.150937 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -2.3290200857804398e-20 -1.219334925129066e-20 -1.5287568897469498e-21 8.625301887372659e-21 1.8428235644268e-20 2.8094968365507e-20 3.79156702612734e-20 4.8391662400345795e-20 6.08886401455458e-20 1.0967828322177718e-19 1.2964813322328e-19 1.4036284968081838e-19 1.479792769635276e-19 1.5384164126733357e-19 1.585070194078782e-19 1.62271653844788e-19 1.65317391626022e-19 1.67765517522774e-19 1.6970254907327997e-19 1.7119577769616796e-19 1.7229487086709198e-19 1.7304308735516999e-19 1.7347086851644798e-19 1.7360865570697199e-19 1.7354296646497798e-19 1.7332987697265597e-19 1.72942150227228e-19 1.7233812963621e-19 1.7147455643048398e-19 1.7028734354469e-19 1.6869958650039599e-19 1.66605541639758e-19 1.6386421741898398e-19 1.60278546112092e-19 1.555700694200928e-19 1.4933183447795038e-19 1.4093995370438519e-19 1.2938361386100658e-19 1.1291692306974478e-19 8.8257502060524e-20 4.8446456841228595e-20 -2.4182773460605796e-20 ] } }