{ "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" [ 6.74782 6.295692 6.015481 5.811893 5.651897 5.520079 5.407983 5.31047 5.224177 5.146788 5.076636 5.012481 4.95338 4.898593 4.847533 4.799726 4.754781 4.712376 4.672238 4.634137 4.597877 4.563287 4.530221 4.49855 4.466532 4.433537 4.399504 4.364365 4.328047 4.290466 4.251533 4.211146 4.169192 4.125545 4.080062 4.032583 3.982923 3.930874 3.876193 3.8186 3.757767 3.693307 3.624762 3.551577 3.473079 3.388436 3.296602 3.196243 3.08561 2.96236 2.823237 2.663543 2.476119 2.24927 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.74782e-10 6.295692e-10 6.015481000000001e-10 5.811893e-10 5.651897e-10 5.520079e-10 5.407983e-10 5.31047e-10 5.224177e-10 5.146788000000001e-10 5.076636e-10 5.012481e-10 4.953380000000001e-10 4.898593e-10 4.847533e-10 4.799725999999999e-10 4.754781e-10 4.712376e-10 4.672238e-10 4.634137e-10 4.5978770000000006e-10 4.563287e-10 4.530221e-10 4.49855e-10 4.466532e-10 4.4335370000000007e-10 4.3995040000000004e-10 4.3643650000000007e-10 4.328047e-10 4.2904660000000004e-10 4.2515330000000004e-10 4.211146e-10 4.169192e-10 4.1255449999999997e-10 4.080062e-10 4.032583e-10 3.9829230000000004e-10 3.9308740000000003e-10 3.8761930000000004e-10 3.8186e-10 3.757767e-10 3.693307e-10 3.624762e-10 3.5515770000000003e-10 3.473079e-10 3.388436e-10 3.2966020000000004e-10 3.196243e-10 3.0856100000000003e-10 2.96236e-10 2.8232370000000006e-10 2.6635430000000004e-10 2.476119e-10 2.2492700000000002e-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" [ 0.348054 0.523036 0.661445 0.77671 0.875158 0.960745 1.03594 1.10239 1.16131 1.21361 1.26002 1.30112 1.3374 1.36927 1.39707 1.4211 1.44162 1.45887 1.47303 1.48429 1.49282 1.49876 1.50223 1.50337 1.50215 1.49819 1.49101 1.48 1.46447 1.44356 1.41625 1.38131 1.33722 1.28213 1.21376 1.12925 1.02506 0.896662 0.738323 0.542624 0.29989 -0.00267443 -0.382237 -0.862528 -1.47718 -2.27471 -3.32614 -4.7367 -6.66387 -9.34396 -13.131 -18.5597 -26.5434 -39.6589 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.57643986170236e-20 8.379960579408239e-20 1.0597517236761298e-19 1.24442661339414e-19 1.402157698658172e-19 1.5392831902323299e-19 1.65975886222596e-19 1.7662234995552598e-19 1.86062374683054e-19 1.94441758478874e-19 2.0187746023726798e-19 2.08462406203008e-19 2.1427510303115998e-19 2.1938123996371797e-19 2.23835291006238e-19 2.2768532145774e-19 2.30972987910708e-19 2.3373674260435797e-19 2.36005424718102e-19 2.37809475607986e-19 2.39176132276788e-19 2.40127825197384e-19 2.4068378048938196e-19 2.40866428625658e-19 2.4067096307631e-19 2.40036501129246e-19 2.3888613830603396e-19 2.3712214183199996e-19 2.34633961519398e-19 2.31283810177704e-19 2.2690826579025e-19 2.21310260631054e-19 2.1424626385174799e-19 2.05419872775042e-19 1.9446579112838399e-19 1.8092579639445e-19 1.64232718044804e-19 1.436610904995708e-19 1.1829238589447818e-19 8.69379493847616e-20 4.8047675077026e-20 -4.28490925526862e-22 -6.124111900502579e-20 -1.381922207770752e-19 -2.3667032802121195e-19 -3.6444872111261397e-19 -5.329063789412759e-19 -7.589030062267799e-19 -1.067669680601358e-18 -1.4970674381030637e-18 -2.1038181381054e-18 -2.9735917674049797e-18 -4.2527215266915594e-18 -6.35405629101426e-18 ] } }