{ "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" [ 5.33472 4.977274 4.755743 4.594789 4.468299 4.364086 4.275465 4.198372 4.13015 4.068968 4.013506 3.962787 3.916062 3.872748 3.832381 3.794585 3.759053 3.725527 3.693795 3.663673 3.635006 3.60766 3.581519 3.55648 3.531167 3.505082 3.478176 3.450396 3.421683 3.391973 3.361193 3.329263 3.296095 3.261589 3.225631 3.188095 3.148835 3.107686 3.064456 3.018924 2.97083 2.91987 2.865679 2.807821 2.745762 2.678844 2.606242 2.526899 2.439435 2.341996 2.232008 2.105757 1.957583 1.77824 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.33472e-10 4.977274000000001e-10 4.755743e-10 4.5947889999999996e-10 4.468299e-10 4.3640860000000007e-10 4.2754649999999996e-10 4.198372e-10 4.1301500000000005e-10 4.068968e-10 4.0135059999999995e-10 3.962787e-10 3.9160620000000003e-10 3.8727480000000003e-10 3.832381e-10 3.7945850000000004e-10 3.7590530000000005e-10 3.725527e-10 3.693795e-10 3.663673e-10 3.635006e-10 3.60766e-10 3.5815190000000004e-10 3.5564800000000004e-10 3.531167e-10 3.505082e-10 3.478176e-10 3.450396e-10 3.421683e-10 3.3919730000000005e-10 3.361193e-10 3.329263e-10 3.296095e-10 3.261589e-10 3.2256310000000003e-10 3.188095e-10 3.1488350000000003e-10 3.107686e-10 3.064456e-10 3.018924e-10 2.97083e-10 2.91987e-10 2.8656790000000003e-10 2.8078210000000003e-10 2.7457620000000003e-10 2.6788439999999996e-10 2.606242e-10 2.526899e-10 2.439435e-10 2.341996e-10 2.232008e-10 2.105757e-10 1.957583e-10 1.7782400000000002e-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" [ 2.64458 3.5357 4.18063 4.68668 5.10018 5.44626 5.74039 5.99292 6.21115 6.40048 6.56506 6.7081 6.8322 6.93949 7.03172 7.11036 7.17665 7.23168 7.27637 7.31154 7.33789 7.35605 7.36659 7.37 7.36637 7.3547 7.3337 7.30183 7.25729 7.19793 7.12121 7.0241 6.90294 6.75331 6.56983 6.34593 6.07348 5.7424 5.33998 4.85018 4.25237 3.51985 2.61745 1.49823 0.0983269 -1.67079 -3.93477 -6.87691 -10.7731 -16.0553 -23.4318 -34.1355 -50.4833 -77.3028 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2370842827437194e-19 5.664815924833799e-19 6.698107701399419e-19 7.508889187035119e-19 8.171389225194119e-19 8.72587051468884e-19 9.197118728047259e-19 9.60171639343128e-19 9.9513594002691e-19 1.025469950238432e-18 1.0518385732808039e-18 1.07475610785354e-18 1.09463911988148e-18 1.111828872987666e-18 1.1266057480830479e-18 1.139205265132824e-18 1.14982609403961e-18 1.158642872056512e-18 1.165802999433858e-18 1.1714378546556358e-18 1.175659590086226e-18 1.1785691428535698e-18 1.180257837025806e-18 1.180804179258e-18 1.180222589139858e-18 1.1783528490079799e-18 1.17498827807658e-18 1.169882141144022e-18 1.162746046416186e-18 1.153235525916762e-18 1.1409436267807138e-18 1.1253848894879398e-18 1.1059729173903959e-18 1.0819995484158538e-18 1.052602811535222e-18 1.016730076699962e-18 9.73078774306632e-19 9.200339103081599e-19 8.555591182027319e-19 7.77084506669412e-19 6.813047853122579e-19 5.6394214251849e-19 4.1936172306632993e-19 2.40042909835782e-19 1.5753706167365458e-20 -2.67690069832086e-19 -6.30419655416418e-19 -1.1018024516120938e-18 -1.7260409095745397e-18 -2.5723426511860197e-18 -3.75418824525612e-18 -5.4691100489907e-18 -8.088316366721219e-18 -1.238527399027752e-17 ] } }