{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 13.7948 12.870495 12.297647 11.881443 11.554357 11.284875 11.055714 10.856363 10.679952 10.521742 10.378326 10.247172 10.126348 10.014345 9.909961 9.812227 9.720345 9.633653 9.551597 9.473706 9.399578 9.328865 9.261266 9.19652 9.152442 9.106053 9.057095 9.005267 8.950213 8.891503 8.828617 8.760917 8.687601 8.607655 8.519758 8.422154 8.312427 8.187135 8.041119 7.866139 7.647787 7.35722 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.37948e-09 1.2870495e-09 1.2297647e-09 1.1881443000000001e-09 1.1554357e-09 1.1284875e-09 1.1055714e-09 1.0856363e-09 1.0679952e-09 1.0521742e-09 1.0378326e-09 1.0247172e-09 1.0126348000000001e-09 1.0014345000000001e-09 9.909961e-10 9.812227e-10 9.720345e-10 9.633653000000001e-10 9.551597e-10 9.473706e-10 9.399578e-10 9.328865e-10 9.261266000000001e-10 9.19652e-10 9.152442000000001e-10 9.106053e-10 9.057095000000001e-10 9.005267e-10 8.950213e-10 8.891503000000001e-10 8.828617e-10 8.760916999999999e-10 8.687601000000001e-10 8.607654999999999e-10 8.519758e-10 8.422154000000001e-10 8.312426999999999e-10 8.187135e-10 8.041119e-10 7.866139e-10 7.647787e-10 7.35722e-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" [ 0.00616433 0.0320699 0.0677618 0.104819 0.139555 0.170749 0.198233 0.222248 0.24316 0.261343 0.277141 0.290851 0.302725 0.312974 0.321777 0.32928 0.335608 0.340867 0.345145 0.348519 0.351054 0.352807 0.353828 0.354159 0.354 0.353668 0.353058 0.352011 0.350433 0.348206 0.345181 0.341167 0.335915 0.329093 0.320256 0.308779 0.293762 0.273828 0.246685 0.20801 0.149377 0.0461979 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.876345408896065e-22 5.138164401139392e-21 1.0856637174332544e-20 1.679385512156352e-20 2.2359175831574402e-20 2.7357005582497925e-20 3.1760427807104644e-20 3.5608054961955844e-20 3.89585267113728e-20 4.187176446097344e-20 4.4402883086513284e-20 4.6599467233630085e-20 4.8501891753168006e-20 5.014396257182592e-20 5.155435865111616e-20 5.2756471769702407e-20 5.3770329135344646e-20 5.461291382022336e-20 5.52983249786016e-20 5.583889937045953e-20 5.624505114383232e-20 5.652591270545856e-20 5.668949493844223e-20 5.674252698459073e-20 5.671705237632e-20 5.666386011250944e-20 5.656612733864064e-20 5.639837944644288e-20 5.614555597568065e-20 5.578875124222849e-20 5.530409281443649e-20 5.466097911884737e-20 5.3819515957603207e-20 5.2726511066893445e-20 5.131066758709248e-20 4.9471849479400325e-20 4.706586084794497e-20 4.387208197204225e-20 3.95232939702048e-20 3.33268758892608e-20 2.3932833708524163e-20 7.401719531005632e-21 ] } }