{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ti" ] } "a" { "source-value" [ 4.12854 3.851913 3.68047 3.555908 3.458017 3.377366 3.308782 3.24912 3.196324 3.148974 3.106053 3.066801 3.03064 2.99712 2.96588 2.93663 2.909131 2.883186 2.858628 2.835317 2.813131 2.791968 2.771737 2.75236 2.73277 2.712583 2.691761 2.670262 2.648041 2.625048 2.601227 2.576517 2.550848 2.524144 2.496316 2.467267 2.436884 2.405038 2.371582 2.336345 2.299126 2.259687 2.217749 2.172972 2.124945 2.073157 2.016971 1.955568 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.12854e-10 3.8519130000000004e-10 3.68047e-10 3.555908e-10 3.458017e-10 3.377366e-10 3.308782e-10 3.2491200000000004e-10 3.1963240000000005e-10 3.148974e-10 3.1060530000000003e-10 3.066801e-10 3.03064e-10 2.99712e-10 2.96588e-10 2.93663e-10 2.909131e-10 2.883186e-10 2.858628e-10 2.835317e-10 2.813131e-10 2.791968e-10 2.771737e-10 2.75236e-10 2.73277e-10 2.7125830000000003e-10 2.691761e-10 2.6702620000000004e-10 2.648041e-10 2.625048e-10 2.601227e-10 2.576517e-10 2.550848e-10 2.524144e-10 2.4963160000000004e-10 2.467267e-10 2.436884e-10 2.4050379999999997e-10 2.3715820000000003e-10 2.3363450000000004e-10 2.2991259999999999e-10 2.2596870000000002e-10 2.217749e-10 2.1729720000000003e-10 2.124945e-10 2.0731570000000001e-10 2.016971e-10 1.955568e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.89487 1.41441 1.81602 2.15626 2.45602 2.72421 2.96266 3.17233 3.35536 3.51495 3.65398 3.77491 3.87983 3.97047 4.04824 4.11427 4.1701 4.21563 4.25205 4.28015 4.3007 4.31446 4.3222 4.32462 4.32218 4.31467 4.30144 4.28189 4.2543 4.21744 4.16949 4.10819 4.03071 3.93298 3.81053 3.65812 3.46931 3.23575 2.94608 2.58449 2.12974 1.55307 0.816521 -0.131978 -1.36688 -2.99614 -5.18525 -8.19414 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.43373980446758e-19 2.2661346528959398e-19 2.90958481087668e-19 3.45470938882884e-19 3.93497785663668e-19 4.36466560810914e-19 4.74670462648644e-19 5.08263300133722e-19 5.375879390658239e-19 5.631570759678299e-19 5.854321377103319e-19 6.04807259745294e-19 6.216172969892219e-19 6.36139425999798e-19 6.485995536824159e-19 6.59178725996718e-19 6.681236781443399e-19 6.75418388358942e-19 6.812535156599699e-19 6.8575563200151e-19 6.890481049843799e-19 6.91252700032764e-19 6.924927847474799e-19 6.9288051149290805e-19 6.92489580394212e-19 6.912863457420778e-19 6.89166666055296e-19 6.860344107358259e-19 6.816140054026199e-19 6.757083823296959e-19 6.680259453696659e-19 6.582046026032458e-19 6.45790938043014e-19 6.30132865798932e-19 6.10514212915602e-19 5.860954388368079e-19 5.55844741810254e-19 5.184243043465499e-19 4.72014053789472e-19 4.14080948880666e-19 3.41221966449516e-19 2.4882924649663795e-19 1.308210867370314e-19 -2.11452067802052e-20 -2.18998319748192e-19 -4.800345500192759e-19 -8.307686391448499e-19 -1.3128459643724761e-18 ] } }