{ "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" [ 5.93177 5.534319 5.287994 5.109027 4.96838 4.852502 4.753963 4.668242 4.592385 4.524355 4.462686 4.40629 4.354336 4.306175 4.26129 4.219264 4.179755 4.142477 4.107193 4.0737 4.041825 4.011418 3.982351 3.95451 3.935557 3.915609 3.894557 3.872271 3.848598 3.823353 3.796312 3.7672 3.735675 3.701298 3.663502 3.621532 3.57435 3.520474 3.457687 3.382445 3.288554 3.16361 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.931770000000001e-10 5.534319e-10 5.287994000000001e-10 5.109027e-10 4.96838e-10 4.852502e-10 4.753963e-10 4.668242e-10 4.5923850000000005e-10 4.524355e-10 4.4626859999999997e-10 4.4062900000000005e-10 4.354336e-10 4.306175e-10 4.26129e-10 4.219264e-10 4.179755e-10 4.1424770000000003e-10 4.107193e-10 4.0736999999999996e-10 4.041825e-10 4.0114180000000003e-10 3.982351e-10 3.95451e-10 3.935557e-10 3.915609e-10 3.894557e-10 3.872271e-10 3.848598e-10 3.823353e-10 3.796312e-10 3.7672e-10 3.735675e-10 3.7012980000000003e-10 3.663502e-10 3.621532e-10 3.57435e-10 3.5204740000000004e-10 3.457687e-10 3.3824450000000005e-10 3.288554e-10 3.16361e-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" [ 1.19652 1.6492 1.99567 2.28022 2.52203 2.73157 2.91512 3.07716 3.22114 3.34916 3.46301 3.56413 3.65367 3.73259 3.80168 3.86164 3.91304 3.9564 3.99215 4.02071 4.04242 4.05759 4.0665 4.06942 4.068 4.06331 4.05458 4.04083 4.0208 3.99282 3.95469 3.90343 3.83494 3.74344 3.62051 3.45358 3.22302 2.8966 2.41798 1.67979 0.45134 -1.86221 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9170363861136799e-19 2.6423097047928e-19 3.19741584317478e-19 3.65331520437948e-19 4.04073753624702e-19 4.37645762813538e-19 4.670537149306079e-19 4.93015385107944e-19 5.16083524284276e-19 5.365945895527439e-19 5.54835370530834e-19 5.71036580653842e-19 5.853824702346779e-19 5.9802684823020595e-19 6.09096286594512e-19 6.18702937691976e-19 6.2693812559073595e-19 6.338851634757599e-19 6.396129449423099e-19 6.44188761409014e-19 6.476670868814279e-19 6.50097588835206e-19 6.515251282160998e-19 6.519929637932279e-19 6.517654547111999e-19 6.51014033869854e-19 6.4961533366837185e-19 6.474123407966219e-19 6.4420318099872e-19 6.397202907767879e-19 6.33611191271346e-19 6.25398433845462e-19 6.144251260791959e-19 5.99765209878096e-19 5.80069652516334e-19 5.53324517964972e-19 5.16384733491468e-19 4.640864838044399e-19 3.8740310574793196e-19 2.6913202880268595e-19 7.231264019895599e-20 -2.9835893496011398e-19 ] } }