{ "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" [ 5.34844 4.990075 4.767975 4.606608 4.479793 4.375311 4.286462 4.209172 4.140775 4.079435 4.023831 3.972981 3.926136 3.882711 3.84224 3.804347 3.768723 3.735112 3.703298 3.673098 3.644358 3.616942 3.590733 3.56563 3.54854 3.530554 3.511572 3.491478 3.470132 3.447369 3.422988 3.396739 3.368313 3.337316 3.303237 3.265394 3.222851 3.174273 3.11766 3.049817 2.965158 2.8525 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.34844e-10 4.990075e-10 4.767975e-10 4.606608e-10 4.479793e-10 4.3753110000000003e-10 4.2864620000000004e-10 4.2091719999999997e-10 4.1407749999999996e-10 4.079435e-10 4.0238310000000007e-10 3.972981e-10 3.926136e-10 3.8827110000000003e-10 3.8422400000000003e-10 3.804347e-10 3.768723e-10 3.735112e-10 3.7032980000000004e-10 3.6730980000000004e-10 3.644358e-10 3.616942e-10 3.5907330000000005e-10 3.5656300000000003e-10 3.54854e-10 3.530554e-10 3.5115720000000004e-10 3.491478e-10 3.470132e-10 3.4473690000000004e-10 3.4229880000000003e-10 3.3967390000000003e-10 3.368313e-10 3.337316e-10 3.3032370000000004e-10 3.265394e-10 3.222851e-10 3.1742730000000003e-10 3.11766e-10 3.049817e-10 2.9651580000000003e-10 2.8525e-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 0 0.171452 1.46534 3.06001 4.41194 5.37892 5.97136 6.25379 6.43625 6.59482 6.73263 6.8522 6.95556 7.04442 7.12019 7.18408 7.23713 7.28021 7.31412 7.33953 7.35706 7.36722 7.37051 7.36894 7.36376 7.35423 7.33935 7.3179 7.28829 7.24843 7.19556 7.12593 7.03438 6.91355 6.75268 6.53539 6.23559 5.80905 5.17462 4.1287 -8.18958 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 2.7469638825256795e-20 2.34773350886556e-19 4.90267652180634e-19 7.06870717860996e-19 8.61797994015528e-19 9.56717346520224e-19 1.001967621194286e-18 1.03120093605825e-18 1.056606650943588e-18 1.078686247136742e-18 1.09784347314948e-18 1.1144035708385039e-18 1.128640512408228e-18 1.140780204764046e-18 1.1510165112786719e-18 1.1595160583220419e-18 1.166418235261314e-18 1.171851216227208e-18 1.175922347054202e-18 1.178730962693604e-18 1.1803587741537478e-18 1.180885890266334e-18 1.180634348534796e-18 1.179804421038384e-18 1.178277546706182e-18 1.1758935078747899e-18 1.1724568389948599e-18 1.167712793981586e-18 1.161326517918462e-18 1.152855810054504e-18 1.141699854151962e-18 1.1270319270676918e-18 1.10767282679907e-18 1.081898611287912e-18 1.0470849152077258e-18 9.990516597204059e-19 9.307124175737699e-19 8.29065525382908e-19 6.6149066687958e-19 -1.3121153718273718e-18 ] } }