{ "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" [ 6.58887 6.147391 5.873781 5.674988 5.518761 5.390047 5.280592 5.185376 5.101116 5.02555 4.957049 4.894406 4.836697 4.7832 4.733343 4.686662 4.642776 4.601369 4.562177 4.524973 4.489567 4.455792 4.423505 4.39258 4.371527 4.349369 4.325985 4.30123 4.274934 4.246892 4.216856 4.184519 4.149501 4.111315 4.069333 4.022713 3.970303 3.910459 3.840716 3.757139 3.652846 3.51406 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.588870000000001e-10 6.147391e-10 5.873781e-10 5.674988e-10 5.518761e-10 5.390047e-10 5.280592000000001e-10 5.185376e-10 5.101116e-10 5.02555e-10 4.957049e-10 4.894406e-10 4.836697000000001e-10 4.7832e-10 4.733343e-10 4.686662e-10 4.642776e-10 4.601369e-10 4.5621770000000004e-10 4.524973e-10 4.489567e-10 4.455792e-10 4.423505e-10 4.3925799999999997e-10 4.3715270000000007e-10 4.3493690000000005e-10 4.325985e-10 4.3012300000000004e-10 4.2749340000000004e-10 4.246892e-10 4.216856e-10 4.184519e-10 4.149501e-10 4.111315e-10 4.0693330000000003e-10 4.0227130000000005e-10 3.970303e-10 3.910459e-10 3.840716e-10 3.757139e-10 3.6528459999999997e-10 3.5140600000000005e-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 0 0 0 0 0 5.03458e-18 1.21706e-05 0.00365536 0.041224 0.154135 0.348071 0.599008 0.876009 1.15331 1.41326 1.64533 1.84422 2.00809 2.13733 2.23354 2.29903 2.33638 2.34826 2.34271 2.32482 2.2925 2.24321 2.17394 2.081 1.95984 1.80478 1.60861 1.36197 1.05248 0.663254 0.170511 -0.460686 -1.28459 -2.39171 -3.95238 -7.00781 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 8.066286371547264e-37 1.949945078110848e-24 5.856532332607488e-22 6.60481290158592e-21 2.46951493447008e-20 5.576712185784768e-20 9.597166132721664e-20 1.4035211394103874e-19 1.8478063185348482e-19 2.264292131111808e-19 2.636109259500864e-19 2.954766167611776e-19 3.2173148504622723e-19 3.424380156934464e-19 3.578525569621632e-19 3.6834521165178246e-19 3.7432934133047046e-19 3.762327271559808e-19 3.753435191314368e-19 3.724772251568256e-19 3.672989903184e-19 3.594018617544768e-19 3.483035843021952e-19 3.3341295478848e-19 3.1400098285086724e-19 2.891576321687424e-19 2.5772773339850884e-19 2.182116492230976e-19 1.6862588498595843e-19 1.0626500524520833e-19 2.731887377892288e-20 -7.381003387298688e-20 -2.058140065313472e-19 -3.8319418457335677e-19 -6.332410832517504e-19 -1.122774934500845e-18 ] } }