{ "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 9.32361 8.698894 8.311719 8.030417 7.809347 7.62721 7.472326 7.337589 7.218357 7.111426 7.014495 6.925851 6.844189 6.768489 6.697938 6.631882 6.569781 6.511188 6.455728 6.403084 6.352982 6.305189 6.259501 6.21574 6.185949 6.154595 6.121505 6.086476 6.049265 6.009584 5.967081 5.921323 5.871771 5.817737 5.758329 5.69236 5.618197 5.533515 5.434825 5.316559 5.168979 4.97259 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.32361e-10 8.698894e-10 8.311719e-10 8.030417e-10 7.809347e-10 7.62721e-10 7.472326e-10 7.337589e-10 7.218357e-10 7.111426e-10 7.014495e-10 6.925851e-10 6.844189000000001e-10 6.768489e-10 6.697938e-10 6.631882e-10 6.569781000000001e-10 6.511188e-10 6.455728e-10 6.403084e-10 6.352982e-10 6.305189000000001e-10 6.259501e-10 6.215740000000001e-10 6.185949e-10 6.154595e-10 6.121505000000001e-10 6.086476e-10 6.049265e-10 6.009584000000001e-10 5.967081e-10 5.921323e-10 5.871771e-10 5.817737e-10 5.758329e-10 5.69236e-10 5.618197e-10 5.533515e-10 5.434825e-10 5.316559e-10 5.168979e-10 4.972590000000001e-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" [ 0.233976 0.369882 0.485987 0.588656 0.681113 0.765315 0.842576 0.913831 0.979772 1.04092 1.08739 1.13679 1.186 1.2318 1.27433 1.31365 1.34977 1.38261 1.41204 1.43781 1.45951 1.47654 1.48795 1.49224 1.48966 1.47974 1.45672 1.40619 1.26503 0.812639 0.741536 0.669277 0.604075 0.538656 0.466968 0.383142 0.279543 0.144507 -0.0418868 -0.317464 -0.764182 -1.59745 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.74870880116784e-20 5.92616297737188e-20 7.78637015827758e-20 9.431308886639038e-20 1.091263333713642e-19 1.2261698106497098e-19 1.349955579569184e-19 1.464118675624854e-19 1.5697678050474478e-19 1.66773770186328e-19 1.74219085004526e-19 1.82133837576486e-19 1.9001814879239998e-19 1.9735611777611999e-19 2.0417017500052198e-19 2.1046993352540998e-19 2.1625699552741798e-19 2.21518543593474e-19 2.26233749427336e-19 2.30362558613154e-19 2.33839281908934e-19 2.3656778871663596e-19 2.3839587225603e-19 2.3908320603201598e-19 2.38669844460444e-19 2.37080485239516e-19 2.3339227462804797e-19 2.25296476096446e-19 2.0268015073090201e-19 1.301991217677126e-19 1.1880716524698238e-19 1.072299971073618e-19 9.678348501835499e-20 8.63022056963904e-20 7.48165218425712e-20 6.13861159904028e-20 4.478772627982619e-20 2.3152573884943798e-20 -6.71100522330312e-21 -5.08633402936176e-20 -1.224354544523388e-19 -2.5593970639833e-19 ] } }