{ "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" [ "B" "B" "B" "B" "B" "B" "B" "B" ] } "a" { "source-value" [ 6.6207 6.177089 5.902156 5.702403 5.545421 5.416086 5.306102 5.210425 5.125759 5.049827 4.980996 4.91805 4.860062 4.806307 4.756209 4.709303 4.665205 4.623598 4.584216 4.546833 4.511256 4.477318 4.444874 4.4138 4.392645 4.370381 4.346884 4.322009 4.295586 4.267409 4.237228 4.204735 4.169548 4.131178 4.088993 4.042148 3.989485 3.929352 3.859273 3.775292 3.670496 3.53104 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.620700000000001e-10 6.177089e-10 5.902156e-10 5.702403000000001e-10 5.545421000000001e-10 5.416086e-10 5.306102000000001e-10 5.210425e-10 5.125759e-10 5.049827e-10 4.980996e-10 4.91805e-10 4.860062e-10 4.806307e-10 4.756209e-10 4.709303e-10 4.665205e-10 4.6235980000000003e-10 4.584216e-10 4.5468330000000004e-10 4.5112560000000007e-10 4.4773180000000007e-10 4.444874000000001e-10 4.4138000000000003e-10 4.3926450000000003e-10 4.3703810000000004e-10 4.3468840000000003e-10 4.3220090000000005e-10 4.2955860000000003e-10 4.267409e-10 4.237228e-10 4.2047350000000003e-10 4.1695479999999997e-10 4.1311780000000004e-10 4.0889930000000004e-10 4.042148e-10 3.9894850000000004e-10 3.929352e-10 3.859273e-10 3.775292e-10 3.670496e-10 3.53104e-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" [ 1.14286 2.51397 3.58079 4.38083 4.9881 5.45751 5.8265 6.12071 6.35801 6.55243 6.71805 6.85937 6.98238 7.09173 7.18434 7.24053 7.28612 7.32342 7.32979 7.34822 7.36382 7.37591 7.38396 7.38792 7.38654 7.39634 7.38385 7.36467 7.27651 7.16504 7.0517 6.92998 6.79347 6.63501 6.44625 6.2167 5.93189 5.57016 5.09563 4.4249 2.53484 -4.24992 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.831063572847488e-19 4.0278239593925763e-19 5.737058021994432e-19 7.018863405699264e-19 7.991817202212481e-19 8.743894929782209e-19 9.3350820810912e-19 9.806458464696769e-19 1.018665497681261e-18 1.0498150155428546e-18 1.0763502647365441e-18 1.0989922247416898e-18 1.1187005993541504e-18 1.1362204007025985e-18 1.1510581583878272e-18 1.1600607888201024e-18 1.1673651120343297e-18 1.1733412308299135e-18 1.1743618173373632e-18 1.1773146288494978e-18 1.1798140243779455e-18 1.1817510559124928e-18 1.1830408080922368e-18 1.1836752700340738e-18 1.1834541696604033e-18 1.1850243027487873e-18 1.183023184149408e-18 1.1799502093907137e-18 1.1658254203017408e-18 1.1479659575096833e-18 1.129806887689536e-18 1.1103051938611585e-18 1.0884338808106176e-18 1.0630457900774208e-18 1.0328031041832e-18 9.960251398527361e-19 9.503935475157313e-19 8.924380126115329e-19 8.164099254247105e-19 7.089471329377921e-19 4.061261385468672e-19 -6.809122464270337e-19 ] } }