{ "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" [ 6.10317 5.694235 5.440794 5.256655 5.111944 4.992719 4.891332 4.803134 4.725086 4.65509 4.591639 4.533614 4.480158 4.430605 4.384424 4.341184 4.300533 4.262178 4.225875 4.191414 4.158618 4.127332 4.097425 4.06878 4.039821 4.009978 3.979197 3.947415 3.914566 3.880576 3.845362 3.808833 3.770888 3.731411 3.690273 3.64733 3.602415 3.555338 3.505881 3.45379 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.103170000000001e-10 5.694235000000001e-10 5.440794000000001e-10 5.256655e-10 5.111944e-10 4.992719000000001e-10 4.891332e-10 4.803134e-10 4.725086e-10 4.6550900000000007e-10 4.591639e-10 4.533614e-10 4.480158e-10 4.430605e-10 4.3844240000000003e-10 4.3411840000000005e-10 4.300533e-10 4.2621779999999997e-10 4.2258750000000007e-10 4.191414e-10 4.158618e-10 4.127332e-10 4.0974250000000005e-10 4.0687800000000003e-10 4.039821e-10 4.0099780000000003e-10 3.979197e-10 3.947415e-10 3.914566e-10 3.880576e-10 3.8453620000000003e-10 3.808833e-10 3.770888e-10 3.731411e-10 3.690273e-10 3.64733e-10 3.6024150000000005e-10 3.555338e-10 3.505881e-10 3.4537900000000004e-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" [ 0.70038 1.16078 1.48684 1.78234 2.0636 2.30835 2.51707 2.70274 2.86979 3.02106 3.16121 3.28785 3.39791 3.49799 3.58674 3.66194 3.72453 3.77679 3.82048 3.85715 3.88678 3.90784 3.92044 3.92462 3.92024 3.90625 3.8809 3.84081 3.78101 3.6966 3.58229 3.43446 3.24813 3.01606 2.72478 2.35018 1.86501 1.24272 0.458819 -0.530302 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.12213247092092e-19 1.8597745932145197e-19 2.3821803064965597e-19 2.85562350184356e-19 3.3062517019224e-19 3.6983844330938997e-19 4.0327907401423796e-19 4.3302668757771594e-19 4.59791048248686e-19 4.840271741912039e-19 5.064816797167139e-19 5.2677164460969e-19 5.444052006434939e-19 5.60439784396566e-19 5.74659102023316e-19 5.86707470310996e-19 5.96735493863202e-19 6.051084689524859e-19 6.12108378666432e-19 6.179835603833099e-19 6.227308097498519e-19 6.26104993741056e-19 6.28123736299896e-19 6.28793446132908e-19 6.2809169276721595e-19 6.2585024765625e-19 6.2178872988906e-19 6.153656037633539e-19 6.05784587492034e-19 5.922606145244399e-19 5.73946133421186e-19 5.502611562407639e-19 5.20407799019442e-19 4.832260858742039e-19 4.36557884879052e-19 3.7654034816941197e-19 2.98807544417634e-19 1.99105694660448e-19 7.351090810352459e-20 -8.49637473363468e-20 ] } }