{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.09153 7.549367 7.213356 6.969226 6.777369 6.619301 6.484884 6.367952 6.264476 6.171676 6.087553 6.010623 5.939753 5.874056 5.812828 5.755501 5.701606 5.650756 5.602625 5.556937 5.513456 5.471978 5.432328 5.39435 5.368496 5.341285 5.312568 5.282168 5.249875 5.215438 5.178551 5.13884 5.095836 5.048942 4.997385 4.940133 4.875772 4.802279 4.716632 4.613994 4.485917 4.31548 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.091530000000001e-10 7.549367000000001e-10 7.213356000000001e-10 6.969226e-10 6.777369e-10 6.619301e-10 6.484884e-10 6.367952e-10 6.264476e-10 6.171676e-10 6.087553e-10 6.010623e-10 5.939753e-10 5.874056000000001e-10 5.812827999999999e-10 5.755501e-10 5.701606e-10 5.650756e-10 5.602625e-10 5.556937e-10 5.513456e-10 5.471978000000001e-10 5.432328000000001e-10 5.39435e-10 5.368496e-10 5.341285e-10 5.312568e-10 5.282168000000001e-10 5.249875000000001e-10 5.215438e-10 5.178551e-10 5.13884e-10 5.095836e-10 5.048942e-10 4.997385e-10 4.940133000000001e-10 4.875772e-10 4.802279000000001e-10 4.716632e-10 4.613994e-10 4.4859169999999997e-10 4.31548e-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" [ 0.591411 0.802596 0.961592 1.09016 1.19793 1.29014 1.37017 1.44014 1.50159 1.55571 1.60351 1.64562 1.68262 1.71502 1.7432 1.76748 1.78817 1.8055 1.81972 1.83102 1.83954 1.84546 1.84894 1.85007 1.84952 1.84771 1.84434 1.83905 1.83138 1.82069 1.80629 1.78701 1.76135 1.72728 1.68178 1.62033 1.53598 1.41742 1.24501 0.981562 0.548148 -0.257334 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.475448774839488e-20 1.2859005471475967e-19 1.5406402211483137e-19 1.746628864931328e-19 1.919295439354944e-19 2.0670321455589123e-19 2.1952543405215363e-19 2.3073586386789123e-19 2.405812392027072e-19 2.492522190744768e-19 2.569106233219008e-19 2.6365738907208962e-19 2.695854425690496e-19 2.747764948204416e-19 2.7929142853785605e-19 2.831815133731584e-19 2.8649641680159364e-19 2.8927298888544005e-19 2.9155128404021763e-19 2.9336174362172163e-19 2.947267981026432e-19 2.9567528666215682e-19 2.9623284412619523e-19 2.9641389008434563e-19 2.963257703702016e-19 2.9603577640183682e-19 2.9549584288062722e-19 2.9464829144822404e-19 2.934194219800704e-19 2.9170669517243523e-19 2.893995608384832e-19 2.8631056431358084e-19 2.82199379104608e-19 2.767407633575424e-19 2.6945085973290243e-19 2.596054843980864e-19 2.460911246016384e-19 2.270957185854336e-19 1.994725914662208e-19 1.5726356882656898e-19 8.782299103382784e-20 -4.122945185369472e-20 ] } }