{ "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" [ 8.49441 7.925253 7.572512 7.316228 7.114819 6.948881 6.80777 6.685017 6.576389 6.478968 6.390657 6.309897 6.235498 6.16653 6.102254 6.042072 5.985494 5.932112 5.881585 5.833622 5.787976 5.744433 5.702809 5.66294 5.635798 5.607233 5.577086 5.545172 5.511271 5.475119 5.436396 5.394707 5.349562 5.300333 5.246209 5.186107 5.11854 5.041389 4.951476 4.843728 4.709273 4.53035 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.49441e-10 7.925253e-10 7.572512e-10 7.316228e-10 7.114819e-10 6.948881000000001e-10 6.80777e-10 6.685017e-10 6.576389e-10 6.478968e-10 6.390657e-10 6.309897e-10 6.235498e-10 6.16653e-10 6.102254000000001e-10 6.042072000000001e-10 5.985494e-10 5.932112e-10 5.881585e-10 5.833622e-10 5.787976e-10 5.744433000000001e-10 5.702809e-10 5.66294e-10 5.635798000000001e-10 5.607233e-10 5.577086000000001e-10 5.545172e-10 5.511271e-10 5.475119000000001e-10 5.436396000000001e-10 5.394707e-10 5.349562e-10 5.300333e-10 5.246209000000001e-10 5.186107e-10 5.118540000000001e-10 5.041388999999999e-10 4.951476000000001e-10 4.843728e-10 4.709273e-10 4.5303500000000003e-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" [ 0.894063 1.13354 1.32673 1.52551 1.73895 1.93759 2.10095 2.23097 2.33706 2.42742 2.50775 2.58158 2.6508 2.71593 2.77652 2.83159 2.88015 2.92152 2.95545 2.98209 3.00181 3.01515 3.02272 3.02511 3.024 3.02043 3.014 3.00425 2.99062 2.97243 2.94888 2.91899 2.88158 2.83513 2.77772 2.70687 2.61921 2.51019 2.36246 2.14253 1.78959 1.16234 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4324468361223106e-19 1.816131286741632e-19 2.125655788113984e-19 2.444136456796608e-19 2.78610503474016e-19 3.104361398695872e-19 3.3660929714697604e-19 3.5744079757061765e-19 3.7443828934068484e-19 3.8891555728623365e-19 4.0178584208112005e-19 4.1361471207248647e-19 4.24704978641664e-19 4.351399549729345e-19 4.448475431183617e-19 4.536707297691072e-19 4.61450899439712e-19 4.680791041199617e-19 4.73515289394336e-19 4.777834879121473e-19 4.809429802083648e-19 4.83080283820512e-19 4.842931315224577e-19 4.846760517348289e-19 4.8449821012992e-19 4.839262330762945e-19 4.8289603350912e-19 4.8133391130384e-19 4.791501445696896e-19 4.762357852964544e-19 4.724626593544704e-19 4.676737534348993e-19 4.616800106964864e-19 4.5423790029287045e-19 4.450398043128576e-19 4.336883829544896e-19 4.196437026965568e-19 4.0217677317659526e-19 3.785078179575168e-19 3.432711475362624e-19 2.867239258817472e-19 1.862273973420672e-19 ] } }