{ "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 6.4044 5.975282 5.709331 5.516104 5.364251 5.239141 5.13275 5.040199 4.958299 4.884848 4.818266 4.757376 4.701283 4.649284 4.600823 4.555448 4.512791 4.472544 4.434448 4.398287 4.363872 4.331042 4.299659 4.2696 4.249136 4.227599 4.20487 4.180808 4.155249 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.4044e-10 5.975282e-10 5.709331e-10 5.516104e-10 5.364251000000001e-10 5.239141000000001e-10 5.13275e-10 5.040199000000001e-10 4.958299e-10 4.884848e-10 4.818266e-10 4.757376e-10 4.701283e-10 4.6492839999999997e-10 4.6008230000000004e-10 4.5554480000000004e-10 4.5127910000000004e-10 4.4725440000000004e-10 4.434448e-10 4.398287e-10 4.3638719999999997e-10 4.3310420000000003e-10 4.2996590000000005e-10 4.2696e-10 4.249136e-10 4.2275989999999996e-10 4.20487e-10 4.180808e-10 4.1552490000000004e-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" [ 0.286657 0.429682 0.555384 0.670593 0.77828 0.879158 0.974322 1.06378 1.1478 1.22657 1.30025 1.369 1.43262 1.49108 1.54457 1.59299 1.63607 1.67371 1.70583 1.73231 1.75305 1.76793 1.77709 1.78019 1.77863 1.77339 1.76341 1.7473 1.72329 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.592751435886656e-20 6.884264547785856e-20 8.898232603663873e-20 1.0744084266721345e-19 1.246942020436224e-19 1.4085663935892865e-19 1.5610359295310978e-19 1.704363445674624e-19 1.83897832535424e-19 1.965181777774656e-19 2.0832301511952e-19 2.1933797938752002e-19 2.295310270490496e-19 2.3889735157424643e-19 2.474673943189056e-19 2.552251335168192e-19 2.621273103992256e-19 2.681579031999168e-19 2.733040945059264e-19 2.775466581978048e-19 2.8086957250934403e-19 2.8325361132109444e-19 2.8472120510574725e-19 2.852178798581952e-19 2.849679403053504e-19 2.8412839975605123e-19 2.825294274884928e-19 2.7994832095238403e-19 2.761014948858432e-19 ] } }