{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 7.76471 7.244445 6.922006 6.687736 6.503629 6.351945 6.222957 6.110748 6.011451 5.922399 5.841675 5.767852 5.699844 5.6368 5.578046 5.523034 5.471316 5.42252 5.376333 5.33249 5.290765 5.250963 5.212914 5.17647 5.139627 5.10166 5.062499 5.022065 4.980273 4.937029 4.892229 4.845756 4.79748 4.747255 4.694919 4.640285 4.583142 4.52325 4.460328 4.394056 4.324056 4.249883 4.171009 4.086795 3.996469 3.89907 3.793398 3.677915 3.550611 3.408787 3.2487 3.064941 2.849274 2.58824 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.76471e-10 7.244445e-10 6.922006e-10 6.687736000000001e-10 6.503629e-10 6.351945e-10 6.222957e-10 6.110748e-10 6.011451e-10 5.922399000000001e-10 5.841675000000001e-10 5.767852000000001e-10 5.699844e-10 5.636800000000001e-10 5.578046e-10 5.523034e-10 5.471316e-10 5.42252e-10 5.376333e-10 5.33249e-10 5.290765e-10 5.250962999999999e-10 5.212914e-10 5.17647e-10 5.139627e-10 5.10166e-10 5.062499000000001e-10 5.022065e-10 4.980273000000001e-10 4.937029000000001e-10 4.892229000000001e-10 4.845756e-10 4.79748e-10 4.747255e-10 4.694919e-10 4.6402850000000004e-10 4.583142e-10 4.5232500000000004e-10 4.4603279999999997e-10 4.3940560000000003e-10 4.324056e-10 4.2498829999999997e-10 4.171009e-10 4.086795000000001e-10 3.996469e-10 3.8990700000000003e-10 3.793398e-10 3.6779150000000004e-10 3.550611e-10 3.408787e-10 3.2487e-10 3.064941e-10 2.849274e-10 2.5882399999999997e-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" [ 1.69492 1.91815 2.20063 2.39901 2.52604 2.64493 2.78035 2.93153 3.08422 3.22232 3.33684 3.42778 3.50173 3.56399 3.61662 3.66043 3.69588 3.72399 3.7465 3.76474 3.77932 3.79025 3.79717 3.79959 3.79672 3.78685 3.76789 3.73744 3.69288 3.63145 3.55036 3.44751 3.32397 3.18403 3.03116 2.86358 2.67198 2.44138 2.15539 1.79778 1.362 0.849363 0.257397 -0.428692 -1.28239 -2.4545 -4.12403 -6.63125 -10.557 -18.0466 -39.1752 -133.439 -748.462 -6506.74 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7155612204992797e-19 3.0732151105071e-19 3.5257979660794196e-19 3.84363776673234e-19 4.04716226454936e-19 4.23764504456562e-19 4.4546118043418995e-19 4.69682886787002e-19 4.94146521811548e-19 5.162725811270879e-19 5.34620707939656e-19 5.4919090224925195e-19 5.6103899845768195e-19 5.71014150180966e-19 5.79446405805708e-19 5.86465541639262e-19 5.92145257806792e-19 5.96648976324966e-19 6.002554759281e-19 6.03177846108516e-19 6.055138196408879e-19 6.072649987018499e-19 6.083737049325779e-19 6.08761431678006e-19 6.083016069840479e-19 6.0672025864629e-19 6.03682531748226e-19 5.9880390389769595e-19 5.91664604816592e-19 5.8182243375393e-19 5.688303834288239e-19 5.523519967481339e-19 5.32558706611698e-19 5.10137846795502e-19 4.856453725915439e-19 4.5879609655897195e-19 4.2809839225153195e-19 3.91152199071492e-19 3.45331549515726e-19 2.8803611090725195e-19 2.182164575508e-19 1.3608295523841418e-19 4.12395459061698e-20 -6.86840305582728e-20 -2.0546152936752598e-19 -3.9325425481529994e-19 -6.60742450391502e-19 -1.06244338042125e-18 -1.6914178725138e-18 -2.89138408431444e-18 -6.276559007227679e-18 -2.1379284786432597e-17 -1.1991683278369079e-16 -1.0424946791513159e-15 ] } }