{ "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" [ 5.77439 5.387484 5.147695 4.973475 4.83656 4.723757 4.627832 4.544386 4.470542 4.404316 4.344284 4.289384 4.238808 4.191924 4.14823 4.10732 4.068858 4.03257 3.998222 3.965618 3.934588 3.904988 3.876692 3.84959 3.831139 3.811721 3.791227 3.769533 3.746487 3.721912 3.695588 3.667249 3.63656 3.603095 3.566302 3.525445 3.479514 3.427067 3.365946 3.2927 3.2013 3.07967 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.77439e-10 5.387484e-10 5.147695e-10 4.973475e-10 4.83656e-10 4.723757000000001e-10 4.6278319999999996e-10 4.5443860000000005e-10 4.470542e-10 4.404316e-10 4.344284e-10 4.2893840000000003e-10 4.238808e-10 4.191924e-10 4.14823e-10 4.10732e-10 4.068858e-10 4.03257e-10 3.9982220000000005e-10 3.9656180000000003e-10 3.9345880000000004e-10 3.9049880000000003e-10 3.876692e-10 3.84959e-10 3.831139e-10 3.811721e-10 3.791227e-10 3.769533e-10 3.7464870000000004e-10 3.721912e-10 3.695588e-10 3.667249e-10 3.63656e-10 3.603095e-10 3.566302e-10 3.525445e-10 3.479514e-10 3.4270670000000003e-10 3.3659460000000004e-10 3.2927e-10 3.2013e-10 3.0796700000000005e-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 0.000682598 0.0653446 0.375598 0.937999 1.58834 2.19857 2.71559 3.12855 3.4453 3.68069 3.851 3.97122 4.05407 4.10966 4.14566 4.16758 4.17915 4.18268 4.18105 4.17574 4.16594 4.15053 4.12812 4.09684 4.05424 3.997 3.92054 3.8184 3.68122 3.49495 3.23771 2.87358 2.33976 1.51659 0.144737 -2.49693 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 1.0936425570048383e-22 1.0469359041552768e-20 6.017743344192384e-20 1.5028400681337793e-19 2.5448012138814724e-19 3.5224974531922566e-19 4.350854809678273e-19 5.01248966700384e-19 5.519979111642241e-19 5.897115466412352e-19 6.1699821667008e-19 6.362595840053377e-19 6.495336173086657e-19 6.584401171436928e-19 6.642079529785729e-19 6.677199241313665e-19 6.695736424816321e-19 6.701392108287745e-19 6.698780560395841e-19 6.690273002539393e-19 6.674571671655552e-19 6.649882129929024e-19 6.613977351856896e-19 6.563861267158273e-19 6.495608543112192e-19 6.4038999533376e-19 6.281397528911232e-19 6.11775120886272e-19 5.897964620021376e-19 5.59952718086496e-19 5.187383266930368e-19 4.603982693998465e-19 3.748708770283008e-19 2.429845041339072e-19 2.3189423756472963e-20 -4.0005228697741442e-19 ] } }