{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 8.77314 8.185307 7.820992 7.556297 7.34828 7.176897 7.031156 6.904374 6.792182 6.691565 6.600356 6.516946 6.440105 6.368874 6.302489 6.240333 6.181898 6.126765 6.074579 6.025043 5.977899 5.932928 5.889937 5.84876 5.820728 5.791225 5.760089 5.727128 5.692115 5.654777 5.614783 5.571727 5.5251 5.474256 5.418356 5.356282 5.286498 5.206816 5.113953 5.00267 4.863804 4.67901 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.77314e-10 8.185307e-10 7.820992000000001e-10 7.556297e-10 7.34828e-10 7.176897e-10 7.031156000000001e-10 6.904374e-10 6.792182000000001e-10 6.691565e-10 6.600356e-10 6.516946e-10 6.440105e-10 6.368874000000001e-10 6.302488999999999e-10 6.240333e-10 6.181898000000001e-10 6.126765e-10 6.074579e-10 6.025043000000001e-10 5.977899e-10 5.932928000000001e-10 5.889937e-10 5.84876e-10 5.820728e-10 5.791225e-10 5.760089e-10 5.727128e-10 5.692115e-10 5.654777e-10 5.614783e-10 5.571727e-10 5.5251e-10 5.474256e-10 5.418356e-10 5.356282000000001e-10 5.286498e-10 5.206816e-10 5.113953000000001e-10 5.00267e-10 4.863804000000001e-10 4.67901e-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" [ 2.84326 3.51388 3.89689 4.1405 4.32594 4.48204 4.61894 4.73881 4.8412 4.92624 4.99513 5.04982 5.09255 5.12553 5.1508 5.17011 5.18493 5.19646 5.20563 5.213 5.21882 5.22312 5.22583 5.22678 5.22627 5.22452 5.22107 5.21527 5.20624 5.19274 5.17299 5.14451 5.10382 5.04616 4.96481 4.84883 4.67911 4.43673 4.05745 3.33977 1.56081 -4.64167 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.555404698855808e-19 5.629856384296704e-19 6.243506051829313e-19 6.633812298422401e-19 6.930919930983553e-19 7.181019701490432e-19 7.400357680877952e-19 7.592410592413249e-19 7.75645745661696e-19 7.892706556449793e-19 8.003080503856704e-19 8.090703543248257e-19 8.15916455025504e-19 8.212004335209025e-19 8.252491338416641e-19 8.283429368964289e-19 8.307173626484544e-19 8.325646722922368e-19 8.340338682535105e-19 8.352146724230401e-19 8.361471392163456e-19 8.368360751632896e-19 8.372702650275265e-19 8.374224718065024e-19 8.373407607988417e-19 8.370603798902017e-19 8.365076289560257e-19 8.355783665159617e-19 8.341316010273793e-19 8.319686625892992e-19 8.288043637632193e-19 8.242413647471809e-19 8.177221080771456e-19 8.08483957681613e-19 7.954502508714049e-19 7.768682064233665e-19 7.496760648151488e-19 7.108425078801984e-19 6.500751530064961e-19 5.350901412849217e-19 2.500693291510848e-19 -7.4367751554687375e-19 ] } }