{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.21108 7.660907 7.319931 7.072194 6.877503 6.7171 6.580696 6.462037 6.357032 6.26286 6.177495 6.099429 6.027511 5.960843 5.898711 5.840537 5.785846 5.734244 5.685402 5.639039 5.594916 5.552825 5.512589 5.47405 5.447814 5.420201 5.39106 5.36021 5.32744 5.292494 5.255063 5.214765 5.171125 5.123539 5.07122 5.013122 4.94781 4.873232 4.786319 4.682165 4.552195 4.37924 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.211080000000002e-10 7.660907e-10 7.319931e-10 7.072194e-10 6.877503e-10 6.7171e-10 6.580696e-10 6.462036999999999e-10 6.357032000000001e-10 6.26286e-10 6.177495000000001e-10 6.099429e-10 6.027511e-10 5.960843e-10 5.898711e-10 5.840537e-10 5.785846e-10 5.734244e-10 5.685402e-10 5.639039000000001e-10 5.594916e-10 5.552825e-10 5.512589000000001e-10 5.47405e-10 5.447814e-10 5.420201e-10 5.391060000000001e-10 5.360210000000001e-10 5.32744e-10 5.292494e-10 5.255063e-10 5.214765e-10 5.171125000000001e-10 5.123539e-10 5.07122e-10 5.013122e-10 4.947809999999999e-10 4.873232e-10 4.786319e-10 4.682165000000001e-10 4.5521950000000005e-10 4.3792400000000006e-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" [ 0.0216736 0.369572 0.682813 0.937919 1.1465 1.29327 1.39488 1.47597 1.55219 1.63024 1.71074 1.79148 1.86959 1.94261 2.0088 2.06541 2.1128 2.15235 2.18489 2.2109 2.23068 2.24447 2.25251 2.25512 2.25388 2.24983 2.24243 2.23102 2.21483 2.19284 2.16378 2.12593 2.07683 2.01287 1.92845 1.81466 1.657 1.4322 1.11593 0.67327 0.0196725 -1.06176 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.472493520857089e-21 5.921196181022976e-20 1.0939870249783105e-19 1.5027118940041153e-19 1.8368954957472002e-19 2.072046958382016e-19 2.2348441248215037e-19 2.364764627002176e-19 2.486882529039552e-19 2.611932414292992e-19 2.740907632267392e-19 2.8702673726307843e-19 2.9954133884814724e-19 3.1124043253322883e-19 3.21845239586304e-19 3.309151614366528e-19 3.38507876442624e-19 3.4484448497788806e-19 3.5005796770197125e-19 3.5422522909267206e-19 3.5739433444861443e-19 3.5960373600869764e-19 3.608918860118208e-19 3.6131005410984957e-19 3.6111138420887046e-19 3.604625026774465e-19 3.5927689197805445e-19 3.574488084537216e-19 3.5485488450464643e-19 3.513316981155072e-19 3.466757728554624e-19 3.406115343457344e-19 3.3274484713760647e-19 3.224973254709696e-19 3.08971750438176e-19 2.907405826700928e-19 2.6548066606656003e-19 2.29463735630976e-19 1.7879169564493442e-19 1.0786974534860161e-19 3.1518819572688e-21 -1.7011270489006082e-19 ] } }