{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.12 5.709937 5.455797 5.27115 5.126041 5.006486 4.90482 4.816379 4.738116 4.667927 4.604301 4.546116 4.492513 4.442823 4.396514 4.353155 4.312392 4.273932 4.237528 4.202972 4.170085 4.138714 4.108724 4.08 4.060445 4.039864 4.018144 3.995151 3.970727 3.94468 3.916781 3.886746 3.85422 3.818752 3.779757 3.736455 3.687775 3.632189 3.56741 3.48978 3.392909 3.264 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.120000000000001e-10 5.709937000000001e-10 5.455797e-10 5.27115e-10 5.126041e-10 5.006486e-10 4.904820000000001e-10 4.816379000000001e-10 4.738116e-10 4.667927e-10 4.6043010000000006e-10 4.546116e-10 4.492513e-10 4.442823e-10 4.396514e-10 4.353155e-10 4.312392e-10 4.2739320000000005e-10 4.237528e-10 4.202972e-10 4.1700850000000003e-10 4.138714e-10 4.108724e-10 4.0800000000000004e-10 4.0604449999999996e-10 4.039864e-10 4.0181440000000004e-10 3.995151e-10 3.9707270000000004e-10 3.94468e-10 3.916781e-10 3.8867460000000003e-10 3.85422e-10 3.818752e-10 3.779757e-10 3.736455e-10 3.6877749999999997e-10 3.632189e-10 3.56741e-10 3.48978e-10 3.392909e-10 3.264e-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" [ 0.640937 1.05946 1.4182 1.73017 2.0058 2.25142 2.47141 2.66898 2.84661 3.00625 3.14948 3.27764 3.39179 3.49295 3.5819 3.65937 3.726 3.78236 3.82895 3.86623 3.89462 3.91448 3.92617 3.93 3.92813 3.92197 3.9105 3.89242 3.86606 3.82923 3.77905 3.71158 3.62144 3.50103 3.33937 3.12001 2.81738 2.38969 1.76414 0.802798 -0.788413 -3.75986 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0268942768056897e-19 1.6974420426727682e-19 2.27220688361856e-19 2.772037924009536e-19 3.21364586600064e-19 3.607172487601536e-19 3.9596353224113284e-19 4.276177357382784e-19 4.560771990535489e-19 4.81654346628e-19 5.046023223677185e-19 5.251358179398912e-19 5.434246640663232e-19 5.59632282762336e-19 5.73883643804352e-19 5.8629570608568965e-19 5.9697100891008e-19 6.060008763449089e-19 6.13465417221216e-19 6.194383316635584e-19 6.239869110900097e-19 6.2716883385891845e-19 6.290417783286337e-19 6.296554119744e-19 6.293558049463105e-19 6.283688641478976e-19 6.2653116756384e-19 6.236344322334337e-19 6.194110946610048e-19 6.135102781665984e-19 6.05470555883424e-19 5.946606702228865e-19 5.802186501629953e-19 5.609268414719424e-19 5.350260542200897e-19 4.998807078662209e-19 4.513940367909505e-19 3.828705448959552e-19 2.826463863818112e-19 1.2862241868249984e-19 -1.2631768761347905e-19 -6.023959789481089e-19 ] } }