{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 3.70747 3.459056 3.3051 3.193242 3.105335 3.03291 2.971321 2.917744 2.870333 2.827813 2.789269 2.75402 2.721548 2.691446 2.663392 2.637126 2.612432 2.589133 2.567079 2.546146 2.526223 2.507219 2.489051 2.47165 2.454058 2.43593 2.417231 2.397924 2.37797 2.357322 2.33593 2.31374 2.290689 2.266708 2.241719 2.215632 2.188347 2.15975 2.129706 2.098062 2.064639 2.029223 1.991562 1.951351 1.908222 1.861716 1.81126 1.756119 1.695333 1.627615 1.551177 1.463436 1.360459 1.23582 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.70747e-10 3.459056e-10 3.3051000000000003e-10 3.1932420000000004e-10 3.1053350000000004e-10 3.0329100000000005e-10 2.9713210000000004e-10 2.917744e-10 2.870333e-10 2.827813e-10 2.7892690000000003e-10 2.75402e-10 2.721548e-10 2.6914460000000003e-10 2.663392e-10 2.637126e-10 2.612432e-10 2.589133e-10 2.5670790000000004e-10 2.546146e-10 2.526223e-10 2.507219e-10 2.489051e-10 2.47165e-10 2.454058e-10 2.43593e-10 2.417231e-10 2.3979240000000005e-10 2.37797e-10 2.357322e-10 2.33593e-10 2.3137400000000003e-10 2.290689e-10 2.266708e-10 2.241719e-10 2.215632e-10 2.1883469999999998e-10 2.15975e-10 2.1297060000000003e-10 2.0980620000000003e-10 2.064639e-10 2.0292230000000002e-10 1.9915620000000002e-10 1.9513510000000003e-10 1.9082220000000002e-10 1.861716e-10 1.8112600000000002e-10 1.756119e-10 1.695333e-10 1.627615e-10 1.5511770000000002e-10 1.463436e-10 1.3604590000000002e-10 1.23582e-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" [ 2.60717 2.06281 1.65051 0.486402 2.66033 1.62627 -1.93755 -4.13609 -7.25157 -10.6097 -16.8992 -23.9517 -25.3403 -26.133 -25.483 -22.272 -18.3119 -14.347 -11.356 -8.88632 -7.49049 -6.55356 -6.08846 -5.94627 -6.33923 -8.61715 -10.3891 -10.9214 -9.48556 -8.4519 -8.9176 0.884235 7.86271 11.427 3.70938 -8.68288 -22.6801 -45.688 -68.8116 -61.68 -57.4685 -70.4659 -104.086 -152.805 -273.886 -516.363 -960.278 -1754.41 -3024.19 -5135.05 -8968.79 -14656.5 -22365 -37049.4 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.1771468548657795e-19 3.3049859823815393e-19 2.64440855618334e-19 7.79301919130868e-20 4.2623185647292196e-19 2.60557179457518e-19 -3.1042973372066997e-19 -6.62674675412106e-19 -1.1618296013815378e-18 -1.6998613433749799e-18 -2.7075503373292797e-18 -3.8374854084577794e-18 -4.0599636558550195e-18 -4.1869681976322e-18 -4.0828267164221995e-18 -3.568367799244799e-18 -2.93388983041446e-18 -2.2986428167998e-18 -1.8194317855704e-18 -1.423745426624688e-18 -1.200108805521066e-18 -1.049996070151704e-18 -9.75478834904364e-19 -9.52697485345518e-19 -1.0156566183551818e-18 -1.38061963816731e-18 -1.6645173268289398e-18 -1.74980118905676e-18 -1.5197542592405038e-18 -1.35414366929046e-18 -1.42875703513584e-18 1.4167006559649898e-19 1.259745024191814e-18 1.8308072396718e-18 5.943081962626919e-19 -1.391150745182592e-18 -3.63375262767834e-18 -7.3200246054192e-18 -1.102483376681544e-17 -9.882225478512e-18 -9.207468789102899e-18 -1.128988184737806e-17 -1.66764157126524e-17 -2.4482060055837e-17 -4.38813749579724e-17 -8.27304733262142e-17 -1.538534973744252e-16 -2.81087470845594e-16 -4.84528655477646e-16 -8.227257124421699e-16 -1.436958577325286e-15 -2.3482301836220997e-15 -3.583268041941e-15 -5.9359682983719595e-15 ] } }