{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.4756 9.773699 9.33869 9.022632 8.774248 8.569609 8.395588 8.244204 8.110241 7.990099 7.881192 7.781596 7.689845 7.604791 7.525524 7.451307 7.381533 7.315701 7.253389 7.19424 7.137948 7.08425 7.032917 6.98375 6.950278 6.91505 6.877871 6.838514 6.796706 6.752122 6.704368 6.652956 6.597281 6.53657 6.469822 6.395702 6.312377 6.217231 6.106348 5.973469 5.807654 5.587 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.04756e-09 9.773699e-10 9.33869e-10 9.022632e-10 8.774248e-10 8.569609e-10 8.395588000000001e-10 8.244204000000001e-10 8.110241e-10 7.990099e-10 7.881192000000001e-10 7.781596000000001e-10 7.689845000000001e-10 7.604791e-10 7.525524e-10 7.451307e-10 7.381533e-10 7.315701e-10 7.253389000000001e-10 7.19424e-10 7.137948e-10 7.084250000000001e-10 7.032917000000001e-10 6.98375e-10 6.950278e-10 6.91505e-10 6.877871e-10 6.838514e-10 6.796706000000001e-10 6.752122000000001e-10 6.704368e-10 6.652956e-10 6.597281e-10 6.536570000000001e-10 6.469822e-10 6.395702000000001e-10 6.312377e-10 6.217231000000001e-10 6.106348e-10 5.973469e-10 5.807654e-10 5.587e-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" [ 0.0887805 0.186376 0.264687 0.329765 0.385025 0.432607 0.473989 0.510155 0.541898 0.56981 0.594362 0.615929 0.634821 0.651298 0.665575 0.677839 0.68825 0.696948 0.704054 0.711879 0.717146 0.720094 0.721808 0.722365 0.722097 0.721214 0.719582 0.717027 0.71333 0.708206 0.70128 0.692052 0.679843 0.663705 0.642285 0.613588 0.574555 0.520266 0.442315 0.325096 0.135997 -0.206803 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.42242042654837e-20 2.9860727233838394e-20 4.2407532672355796e-20 5.2834177771100994e-20 6.168780585058499e-20 6.931128271048379e-20 7.59414100573026e-20 8.1735842071827e-20 8.682163136113319e-20 9.1293626781954e-20 9.522729085375078e-20 9.868270520029858e-20 1.0170953729725139e-19 1.043494437370932e-19 1.06636871317455e-19 1.0860178074139259e-19 1.1026980683505e-19 1.1166338007130318e-19 1.1280188678742358e-19 1.140555900035286e-19 1.148994564366564e-19 1.153717781083596e-19 1.1564639118342718e-19 1.15735632421941e-19 1.156926940881498e-19 1.155512218913676e-19 1.152897466646988e-19 1.1488039053471178e-19 1.14288065833122e-19 1.134671105258604e-19 1.12357442989152e-19 1.108789543912968e-19 1.0892285693884619e-19 1.0633726428689699e-19 1.0290540193686899e-19 9.83076356502792e-20 9.2053859594787e-20 8.335580286646439e-20 7.0866675786771e-20 5.2086121500686395e-20 2.17891215694098e-20 -3.31334934441102e-20 ] } }