{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.24735 8.627743 8.243736 7.964734 7.745472 7.564826 7.411208 7.277573 7.159316 7.05326 6.957122 6.869203 6.788209 6.713128 6.643154 6.577638 6.516045 6.457931 6.402925 6.350711 6.301019 6.253617 6.208303 6.1649 6.121022 6.075805 6.029166 5.981011 5.93124 5.879738 5.826384 5.771036 5.713542 5.653727 5.591397 5.526331 5.458277 5.386948 5.312012 5.233085 5.149718 5.061382 4.967447 4.867153 4.759578 4.643582 4.517731 4.380197 4.228584 4.05968 3.869024 3.650177 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.247350000000001e-10 8.627743000000001e-10 8.243736e-10 7.964734e-10 7.745472e-10 7.564826000000001e-10 7.411208000000001e-10 7.277573e-10 7.159316e-10 7.053260000000001e-10 6.957122e-10 6.869203e-10 6.788209e-10 6.713128e-10 6.643154e-10 6.577638000000001e-10 6.516045e-10 6.457931000000001e-10 6.402925e-10 6.350711000000001e-10 6.301019e-10 6.253617e-10 6.208303e-10 6.1649e-10 6.121022000000001e-10 6.075805e-10 6.029166e-10 5.981011e-10 5.93124e-10 5.879738e-10 5.826384e-10 5.771036e-10 5.713542000000001e-10 5.653727e-10 5.591397e-10 5.526331e-10 5.458277e-10 5.386948e-10 5.312012000000001e-10 5.233085000000001e-10 5.149718e-10 5.061382e-10 4.967447e-10 4.867153e-10 4.759578e-10 4.6435820000000003e-10 4.5177310000000004e-10 4.380197e-10 4.228584e-10 4.0596800000000003e-10 3.869024e-10 3.650177e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.640311 0.806342 0.926823 1.06894 1.26091 1.42508 1.54878 1.64589 1.72594 1.79423 1.85548 1.91417 1.97266 2.03006 2.08367 2.13118 2.17158 2.20492 2.23174 2.25264 2.26821 2.27891 2.28512 2.28714 2.28498 2.27799 2.26529 2.24579 2.21814 2.18069 2.13134 2.06745 1.9857 1.88193 1.75097 1.58644 1.38025 1.12177 0.796009 0.381878 -0.148411 -0.828506 -1.70172 -2.83444 -4.33116 -6.34939 -9.08117 -12.7757 -17.9053 -25.601 -38.2157 -62.3718 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0258913226931738e-19 1.2919023114128279e-19 1.484934154453782e-19 1.7126306911479598e-19 2.02020053957694e-19 2.2832298775807197e-19 2.48141912720652e-19 2.63700650013426e-19 2.7652607396859597e-19 2.8746733820218196e-19 2.97280670085432e-19 3.0668384475037796e-19 3.1605497588264397e-19 3.25251469761804e-19 3.33840738696678e-19 3.41452679884812e-19 3.47925473486172e-19 3.5326713038392796e-19 3.5756416811631594e-19 3.6091271728137595e-19 3.6340730630051396e-19 3.6512163529889403e-19 3.66116586988608e-19 3.66440226668676e-19 3.66094156515732e-19 3.6497423504856595e-19 3.6293947072338597e-19 3.5981522628708595e-19 3.5538520789407596e-19 3.4938505639974596e-19 3.4147831471095594e-19 3.3124200819632997e-19 3.1814421421338e-19 3.01518427282362e-19 2.8053632208349795e-19 2.54175709924296e-19 2.2114042990785e-19 1.7972736827221799e-19 1.2753470202537058e-19 6.118360086386519e-20 -2.3778063642857396e-20 -1.3274129543288038e-19 -2.7264560216104796e-19 -4.54127353847496e-19 -6.939283350115439e-19 -1.0172844298153259e-18 -1.454963838338178e-18 -2.04689280229938e-18 -2.86874532847602e-18 -4.1017324007034e-18 -6.1228301591953796e-18 -9.993064058052119e-18 ] } }