{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.04201 7.503166 7.169211 6.926576 6.735894 6.578793 6.445198 6.328982 6.22614 6.133908 6.0503 5.973841 5.903404 5.838109 5.777257 5.72028 5.666715 5.616176 5.56834 5.522932 5.479717 5.438493 5.399085 5.36134 5.335644 5.3086 5.280058 5.249844 5.217749 5.183522 5.146861 5.107393 5.064652 5.018045 4.966803 4.909902 4.845934 4.772891 4.687768 4.585758 4.458464 4.28907 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.04201e-10 7.503166e-10 7.169211e-10 6.926576e-10 6.735894000000001e-10 6.578793e-10 6.445198000000001e-10 6.328982e-10 6.22614e-10 6.133908e-10 6.0503e-10 5.973841e-10 5.903404000000001e-10 5.838109000000001e-10 5.777257e-10 5.72028e-10 5.666715e-10 5.616176e-10 5.568340000000001e-10 5.522932e-10 5.479717e-10 5.438493e-10 5.399085000000001e-10 5.36134e-10 5.335644e-10 5.308600000000001e-10 5.280058e-10 5.249844e-10 5.217749000000001e-10 5.183522000000001e-10 5.146861e-10 5.107393e-10 5.064652e-10 5.018045000000001e-10 4.966803e-10 4.909902e-10 4.845934e-10 4.772891e-10 4.687768e-10 4.5857580000000004e-10 4.4584640000000006e-10 4.28907e-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" [ 0.754599 1.05808 1.27915 1.45674 1.60697 1.73399 1.84306 1.93763 2.02011 2.0923 2.15555 2.21094 2.26206 2.30706 2.34635 2.38045 2.40975 2.43463 2.45538 2.47229 2.48559 2.4955 2.50119 2.50254 2.50182 2.49946 2.49511 2.4883 2.47843 2.46473 2.44616 2.42135 2.38842 2.34473 2.28652 2.20875 2.10263 1.954 1.73889 1.41237 0.879715 -0.0901211 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2090008758790594e-19 1.695231038936064e-19 2.0494242244963202e-19 2.333954770584192e-19 2.574649764326976e-19 2.778158238700992e-19 2.952907642731648e-19 3.104425485760704e-19 3.236573013444288e-19 3.35223414369984e-19 3.45357181496544e-19 3.542316377991552e-19 3.624219646846848e-19 3.696317594782848e-19 3.7592671142140806e-19 3.8139013369833606e-19 3.8608451119728e-19 3.900707266298304e-19 3.933952431179904e-19 3.9610452378376323e-19 3.9823541868942727e-19 3.9982317572064e-19 4.007348142178752e-19 4.0095110806168327e-19 4.008357513449856e-19 4.0045763766247684e-19 3.997606908324288e-19 3.9866960855366404e-19 3.970882602289344e-19 3.948932782584384e-19 3.9191803627361283e-19 3.8794303607740803e-19 3.826670684651136e-19 3.7566715880883843e-19 3.663408886991616e-19 3.5388076111920006e-19 3.368784628192704e-19 3.1306531170432003e-19 2.786008904142912e-19 2.262866193919296e-19 1.409458805967072e-19 -1.4438991946077887e-20 ] } }