{ "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" [ "B" "B" "B" "B" "B" "B" "B" "B" ] } "a" { "source-value" [ 4.3938 4.099399 3.916941 3.784376 3.680196 3.594363 3.521372 3.457877 3.401688 3.351297 3.305617 3.263844 3.22536 3.189686 3.156439 3.125309 3.096044 3.068431 3.042296 3.017487 2.993876 2.971353 2.949822 2.9292 2.915161 2.900385 2.884791 2.868284 2.850748 2.832048 2.812018 2.790455 2.767103 2.741639 2.713643 2.682555 2.647605 2.607698 2.56119 2.505457 2.435909 2.34336 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3938e-10 4.099399e-10 3.9169410000000003e-10 3.784376e-10 3.680196e-10 3.594363e-10 3.521372e-10 3.457877e-10 3.401688e-10 3.351297e-10 3.3056169999999997e-10 3.263844e-10 3.2253599999999997e-10 3.189686e-10 3.156439e-10 3.1253090000000003e-10 3.096044e-10 3.068431e-10 3.042296e-10 3.017487e-10 2.9938760000000005e-10 2.971353e-10 2.9498220000000003e-10 2.9292e-10 2.915161e-10 2.900385e-10 2.884791e-10 2.8682840000000004e-10 2.850748e-10 2.832048e-10 2.8120180000000003e-10 2.7904550000000005e-10 2.767103e-10 2.741639e-10 2.713643e-10 2.6825549999999997e-10 2.6476050000000003e-10 2.607698e-10 2.56119e-10 2.505457e-10 2.435909e-10 2.34336e-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" [ 0.505831 0.629009 0.71861 0.790924 0.852359 0.906201 0.954389 0.99817 1.03841 1.07572 1.11056 1.1433 1.17422 1.20353 1.23142 1.25804 1.28353 1.30799 1.33152 1.35418 1.37606 1.39722 1.41903 1.43243 1.42026 1.36882 1.2549 1.0657 0.808877 0.506505 0.18149 -0.14798 -0.465472 -0.750216 -0.970845 -1.08084 -1.14182 -1.21564 -1.30772 -1.57433 -3.18798 -5.86728 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.10430608952854e-20 1.007783522375706e-19 1.1513401509587398e-19 1.2671999520698158e-19 1.365629673579606e-19 1.451894067907434e-19 1.529099755546626e-19 1.5992446507597799e-19 1.66371623851194e-19 1.72349344872648e-19 1.7793132826550398e-19 1.8317685456522e-19 1.8813078471754799e-19 1.9282676443180197e-19 1.9729523506402798e-19 2.0156022926373599e-19 2.05644177503802e-19 2.09563101550566e-19 2.13333023170368e-19 2.1696355542301197e-19 2.20469117898204e-19 2.23859323655748e-19 2.27353670894502e-19 2.29500587584062e-19 2.27550738620484e-19 2.19309142015188e-19 2.0105714580065998e-19 1.7074396388538e-19 1.2959638291800178e-19 8.1151047600417e-20 2.9077903730466e-20 -2.3709009829932e-20 -7.45768362181248e-20 -1.2019785456529439e-19 -1.55546517423573e-19 -1.73169659309256e-19 -1.82939732423388e-19 -1.94767000335576e-19 -2.09519842781448e-19 -2.52235474020522e-19 -5.10770706565932e-19 -9.40041892113552e-19 ] } }