{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 8.63682 8.058121 7.699467 7.438885 7.2341 7.065379 6.921904 6.797092 6.686643 6.587589 6.497797 6.415683 6.340037 6.269912 6.204559 6.143368 6.085842 6.031565 5.98019 5.931424 5.885012 5.84074 5.798417 5.75788 5.716899 5.674667 5.631107 5.586132 5.539646 5.491545 5.441713 5.39002 5.336322 5.280456 5.222241 5.161471 5.09791 5.03129 4.961301 4.887585 4.809723 4.727219 4.639485 4.545813 4.445341 4.337002 4.219461 4.091007 3.949404 3.791651 3.613583 3.409184 3.169293 2.87894 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.636820000000001e-10 8.058121e-10 7.699467000000001e-10 7.438885e-10 7.2341e-10 7.065379000000001e-10 6.921904e-10 6.797092000000001e-10 6.686643000000001e-10 6.587589000000001e-10 6.497797e-10 6.415683e-10 6.340037e-10 6.269912e-10 6.204559e-10 6.143368e-10 6.085842000000001e-10 6.031565e-10 5.980190000000001e-10 5.931424e-10 5.885012e-10 5.840740000000001e-10 5.798417e-10 5.75788e-10 5.716899e-10 5.674667000000001e-10 5.631107e-10 5.586132e-10 5.539646e-10 5.491545000000001e-10 5.441713e-10 5.39002e-10 5.336322e-10 5.280456e-10 5.222241e-10 5.161471e-10 5.09791e-10 5.031290000000001e-10 4.961301e-10 4.887585e-10 4.809723000000001e-10 4.727219e-10 4.6394849999999997e-10 4.545813e-10 4.4453410000000003e-10 4.337002e-10 4.219461e-10 4.0910070000000003e-10 3.949404e-10 3.791651e-10 3.6135830000000006e-10 3.4091840000000006e-10 3.1692930000000005e-10 2.87894e-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" [ 1.01959 1.63413 2.29624 2.87768 3.35511 3.74556 4.15457 4.42447 4.65063 4.84159 5.00368 5.14167 5.25922 5.35922 5.44396 5.5153 5.57476 5.62363 5.6832 5.71873 5.74111 5.75641 5.76523 5.76807 5.76507 5.75546 5.73826 5.7123 5.67619 5.62833 5.56678 5.48925 5.39301 5.27474 5.13042 4.95516 4.74292 4.4862 4.17565 3.79933 3.34205 2.7841 2.09959 1.25395 0.200182 -1.12696 -2.82011 -5.01472 -7.91527 -11.8432 -17.3289 -25.3036 -37.5387 -57.7917 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.63356327426006e-19 2.61816490291842e-19 3.6789820740561597e-19 4.61055165612912e-19 5.375478846499739e-19 6.001048713245039e-19 6.656354978317379e-19 7.0887824518339805e-19 7.4511307193794185e-19 7.75708236940806e-19 8.01677918001312e-19 8.23786353373878e-19 8.42619939706548e-19 8.586417060465479e-19 8.722185508430638e-19 8.836484789500199e-19 8.93175021215784e-19 9.01004858426142e-19 9.1054902463488e-19 9.162415582154819e-19 9.19827229522374e-19 9.222785597723939e-19 9.23691679563582e-19 9.241466977276379e-19 9.236660447374378e-19 9.22126352992164e-19 9.19370609181684e-19 9.152113586398198e-19 9.09425898814446e-19 9.01757881444122e-19 8.91896484261852e-19 8.7947480881845e-19 8.64055460892834e-19 8.45106517842516e-19 8.219839046606279e-19 7.9390415697314395e-19 7.598995600931279e-19 7.1876848154508e-19 6.690128861762099e-19 6.08719775085522e-19 5.3545544196597e-19 4.460619966719399e-19 3.3639140389800597e-19 2.0090493902042997e-19 3.20726922947388e-20 -1.80558897945264e-19 -4.51831434730974e-19 -8.034467210052478e-19 -1.2681660645801178e-18 -1.8974898311788798e-18 -2.77639586729226e-18 -4.05408366760824e-18 -6.014362801073579e-18 -9.25925113791378e-18 ] } }