{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 8.81595 8.225249 7.859156 7.59317 7.384137 7.211917 7.065466 6.938065 6.825325 6.724217 6.632564 6.548746 6.471531 6.399952 6.333243 6.270783 6.212064 6.156661 6.104221 6.054443 6.007069 5.961878 5.918678 5.8773 5.849131 5.819484 5.788196 5.755074 5.71989 5.68237 5.642181 5.598914 5.55206 5.500968 5.444795 5.382418 5.312294 5.232222 5.138906 5.02708 4.887536 4.70184 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.815950000000001e-10 8.225249e-10 7.859156e-10 7.59317e-10 7.384137e-10 7.211917e-10 7.065466e-10 6.938065e-10 6.825325000000001e-10 6.724217000000001e-10 6.632564e-10 6.548746000000001e-10 6.471531e-10 6.399952e-10 6.333243000000001e-10 6.270783e-10 6.212064e-10 6.156661e-10 6.104221e-10 6.054443000000001e-10 6.007069e-10 5.961878e-10 5.918678e-10 5.8773e-10 5.849131000000001e-10 5.819484e-10 5.788196e-10 5.755074e-10 5.719890000000001e-10 5.68237e-10 5.642181000000001e-10 5.598913999999999e-10 5.552060000000001e-10 5.500968e-10 5.444795e-10 5.382418e-10 5.312293999999999e-10 5.232222000000001e-10 5.138906000000001e-10 5.02708e-10 4.887536e-10 4.70184e-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" [ 0.632032 0.989368 1.26369 1.48524 1.66889 1.82362 1.95542 2.0685 2.16601 2.25033 2.32333 2.3865 2.44105 2.48798 2.52812 2.56218 2.59075 2.61436 2.63344 2.64838 2.65952 2.66717 2.67159 2.67301 2.67233 2.67011 2.66603 2.65969 2.65059 2.63807 2.6213 2.59917 2.57019 2.53232 2.48268 2.41711 2.32931 2.2094 2.04082 1.79366 1.40758 0.739052 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.012626902340288e-19 1.5851422920273118e-19 2.0246545906194598e-19 2.37961682388216e-19 2.6738565627162597e-19 2.92176135329508e-19 3.1329282336562797e-19 3.3141023674289997e-19 3.4703306110103396e-19 3.6054261447892197e-19 3.7223850390712196e-19 3.8235945370409994e-19 3.9109932724257e-19 3.9861834218593197e-19 4.05049479194808e-19 4.10506492810212e-19 4.1508391145354996e-19 4.1886665048642396e-19 4.2192360350409593e-19 4.2431725539529194e-19 4.26102080165568e-19 4.2732774529057797e-19 4.28035907362806e-19 4.28263416444834e-19 4.28154468433722e-19 4.27798785220974e-19 4.27145097154302e-19 4.2612931716834598e-19 4.2467133643140595e-19 4.2266541128563794e-19 4.1997856107042e-19 4.16432944179378e-19 4.11789836294046e-19 4.0572239338108795e-19 3.97769188569912e-19 3.87263716380774e-19 3.73196605534254e-19 3.5398490551595997e-19 3.26975411819988e-19 2.8737601413404397e-19 2.25519178648572e-19 1.184091845710968e-19 ] } }