{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.48535 5.117811 4.890025 4.724527 4.594465 4.487309 4.396186 4.316916 4.246769 4.183858 4.126831 4.074679 4.026635 3.982098 3.940591 3.901728 3.865192 3.830721 3.798092 3.76712 3.737643 3.709525 3.682646 3.6569 3.630872 3.604051 3.576385 3.547821 3.518297 3.487748 3.456099 3.423268 3.389163 3.353682 3.316709 3.278113 3.237745 3.195434 3.150983 3.104165 3.054714 3.002315 2.946594 2.887102 2.82329 2.754483 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.48535e-10 5.117811e-10 4.890024999999999e-10 4.724527e-10 4.5944649999999997e-10 4.487309e-10 4.3961860000000005e-10 4.3169160000000003e-10 4.2467689999999997e-10 4.183858e-10 4.126831e-10 4.074679e-10 4.026635e-10 3.9820980000000005e-10 3.940591e-10 3.901728e-10 3.8651920000000003e-10 3.830721e-10 3.798092e-10 3.76712e-10 3.737643e-10 3.709525e-10 3.6826460000000005e-10 3.6569e-10 3.630872e-10 3.6040510000000004e-10 3.576385e-10 3.547821e-10 3.518297e-10 3.487748e-10 3.4560990000000003e-10 3.423268e-10 3.389163e-10 3.353682e-10 3.316709e-10 3.278113e-10 3.237745e-10 3.195434e-10 3.150983e-10 3.104165e-10 3.054714e-10 3.002315e-10 2.946594e-10 2.8871020000000004e-10 2.8232900000000004e-10 2.754483e-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" [ 0.268154 0.788839 1.30013 1.84876 2.47184 3.12279 3.71021 4.17062 4.51546 4.78205 4.99418 5.17215 5.33733 5.49839 5.65295 5.7955 5.92379 6.03942 6.14227 6.23016 6.30036 6.35127 6.38222 6.39266 6.38084 6.34168 6.27032 6.16599 6.03679 5.90107 5.78133 5.68899 5.61972 5.56142 5.50395 5.44381 5.31155 5.03528 4.71389 4.30514 3.76263 2.86549 1.84056 1.56966 1.57374 1.60404 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2963007311363596e-20 1.2638594137879259e-19 2.08303790716242e-19 2.96204007387384e-19 3.960324290986559e-19 5.00326117088886e-19 5.94441176923314e-19 6.6820699132930805e-19 7.2345645037616395e-19 7.6616887726196995e-19 8.00155850199012e-19 8.2866978775431e-19 8.551345413947219e-19 8.809391982619258e-19 9.0570244031703e-19 9.285414682347e-19 9.49095792272286e-19 9.676217606912278e-19 9.841001473719179e-19 9.981816778081439e-19 1.009428957778824e-18 1.017585639022518e-18 1.0225443757047479e-18 1.024217048110644e-18 1.0223232753292559e-18 1.016049151630512e-18 1.0046160191702879e-18 9.87900510347766e-19 9.672003882364858e-19 9.454556469598378e-19 9.262711839443219e-19 9.11476684905966e-19 9.003784073622479e-19 8.91037717586028e-19 8.8183000847043e-19 8.72194518193554e-19 8.5100413003227e-19 8.06740796164752e-19 7.55248441324626e-19 6.897594714098759e-19 6.02839786838742e-19 4.59102112296066e-19 2.9489022254750396e-19 2.5148725753244397e-19 2.5214094559911598e-19 2.5699554080013595e-19 ] } }