{ "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" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" [ 9.21151 8.594305 8.211787 7.933867 7.715455 7.535508 7.382486 7.249369 7.131571 7.025926 6.93016 6.842583 6.761902 6.687112 6.61741 6.552148 6.490794 6.432905 6.378113 6.326101 6.276602 6.229383 6.184244 6.14101 6.111577 6.0806 6.047908 6.0133 5.976537 5.937334 5.895342 5.850134 5.801177 5.747793 5.6891 5.623924 5.550653 5.466989 5.369486 5.252643 5.106837 4.91281 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.211510000000001e-10 8.594305000000001e-10 8.211787e-10 7.933867000000001e-10 7.715455000000001e-10 7.535508e-10 7.382486000000001e-10 7.249369e-10 7.131571000000001e-10 7.025926000000001e-10 6.93016e-10 6.842583e-10 6.761902000000001e-10 6.687112e-10 6.617409999999999e-10 6.552148e-10 6.490794e-10 6.432905e-10 6.378113e-10 6.326101000000001e-10 6.276601999999999e-10 6.229383000000001e-10 6.184244e-10 6.14101e-10 6.111577e-10 6.0806e-10 6.047908e-10 6.0133e-10 5.976537e-10 5.937334e-10 5.895342e-10 5.850134e-10 5.801177e-10 5.747793e-10 5.689100000000001e-10 5.623924e-10 5.550653e-10 5.466989e-10 5.369486000000001e-10 5.252643e-10 5.106837e-10 4.912810000000001e-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" [ 0.0183388 0.0335599 0.0622004 0.104987 0.158166 0.217929 0.281249 0.345906 0.410314 0.473343 0.534164 0.592133 0.646711 0.697414 0.743802 0.785481 0.822129 0.853523 0.879562 0.900282 0.915843 0.926511 0.932629 0.93458 0.933665 0.930714 0.925371 0.91721 0.905709 0.890217 0.869898 0.843655 0.810008 0.766901 0.711388 0.639101 0.543357 0.41358 0.23137 -0.0369146 -0.46013 -1.20428 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.938199661352704e-21 5.376888717638592e-21 9.965602668440833e-21 1.682077168879296e-20 2.534098674054528e-20 3.491607487943232e-20 4.5061057242337925e-20 5.542025061944449e-20 6.573954979869313e-20 7.583790882193345e-20 8.558250724730113e-20 9.487016490041665e-20 1.0361452446141889e-19 1.1173804058186113e-19 1.1917021749042815e-19 1.258479294282605e-19 1.3171958630816833e-19 1.3674945959150786e-19 1.4092136729440896e-19 1.4424107725270658e-19 1.4673422429233345e-19 1.4844342631140288e-19 1.4942363796800835e-19 1.4973622262672641e-19 1.495896234659232e-19 1.4911682114512514e-19 1.482607781766317e-19 1.469532418363968e-19 1.4511057850481473e-19 1.4262848648387138e-19 1.3937302380806784e-19 1.351684317021024e-19 1.2977758802609664e-19 1.228710852668141e-19 1.1397692219176704e-19 1.023952680529901e-19 8.705538821480256e-20 6.62628206830464e-20 3.70695604754496e-20 -5.914370908618368e-21 -7.37209528528704e-20 -1.929469260897024e-19 ] } }