{ "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 4.476989 4.454297 4.430349 4.404997 4.378067 4.349348 4.318587 4.285471 4.249608 4.210501 4.167506 4.119762 4.066088 4.0048 3.933375 3.847782 3.740974 3.59884 ] "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 4.476989e-10 4.4542970000000004e-10 4.430349e-10 4.404997e-10 4.378067e-10 4.349348e-10 4.318587e-10 4.2854710000000004e-10 4.2496080000000005e-10 4.210501e-10 4.1675060000000007e-10 4.119762e-10 4.066088e-10 4.0048000000000005e-10 3.933375e-10 3.8477820000000004e-10 3.7409740000000003e-10 3.5988400000000004e-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 1.50282 1.50101 1.49766 1.49239 1.48474 1.47411 1.45968 1.44039 1.41475 1.3807 1.33527 1.27408 1.19034 1.07305 0.903311 0.645694 0.225783 -0.542943 ] "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 2.40778308910788e-19 2.40488314940034e-19 2.3995158576764396e-19 2.39107238681526e-19 2.37881573556516e-19 2.3617845979457397e-19 2.33866518911712e-19 2.30775920184726e-19 2.2666793929515e-19 2.2121252785638e-19 2.1393383940811797e-19 2.04130120584672e-19 1.9071349345155597e-19 1.7192156371137e-19 1.4472637774351739e-19 1.0345158395139959e-19 3.61744246954422e-20 -8.698905881938619e-20 ] } }