{ "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" [ 6.12464 5.714266 5.459932 5.275145 5.129925 5.01028 4.908537 4.820029 4.741706 4.671464 4.60779 4.54956 4.495916 4.446189 4.399845 4.356452 4.315658 4.277169 4.240738 4.206155 4.173244 4.141849 4.111836 4.08309 4.06352 4.042924 4.021187 3.998177 3.973734 3.947667 3.919747 3.889689 3.857138 3.821643 3.782619 3.739284 3.690567 3.634939 3.57011 3.492422 3.395477 3.26647 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.12464e-10 5.714266e-10 5.459932000000001e-10 5.275145000000001e-10 5.129925000000001e-10 5.01028e-10 4.908537000000001e-10 4.820029e-10 4.741706e-10 4.671464000000001e-10 4.60779e-10 4.5495599999999996e-10 4.4959160000000004e-10 4.446189000000001e-10 4.399845e-10 4.356452e-10 4.315658e-10 4.277169e-10 4.2407380000000004e-10 4.206155e-10 4.1732440000000007e-10 4.1418489999999997e-10 4.1118360000000003e-10 4.0830900000000005e-10 4.0635199999999996e-10 4.0429240000000005e-10 4.0211870000000005e-10 3.998177e-10 3.973734e-10 3.947667e-10 3.9197470000000004e-10 3.889689e-10 3.8571380000000003e-10 3.8216430000000003e-10 3.7826190000000003e-10 3.7392840000000003e-10 3.6905670000000005e-10 3.634939e-10 3.57011e-10 3.492422e-10 3.395477e-10 3.2664700000000003e-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" [ 4.42271 5.60971 5.28231 4.75224 4.283 3.53365 -2.1748 -16.4121 -40.0542 -73.5483 -119.469 -154.844 -154.734 -154.654 -154.596 -154.55 -154.506 -154.464 -154.426 -154.395 -154.371 -154.352 -154.339 -154.334 -154.336 -154.344 -154.357 -154.375 -154.399 -154.426 -154.455 -154.48 -154.495 -154.502 -154.511 -154.538 -154.606 -154.752 -155.034 -155.524 -156.322 -157.477 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.08596262095814e-19 8.987746285516138e-19 8.463193655544539e-19 7.613927887160159e-19 6.862122523422e-19 5.6615314627341e-19 -3.4844137436231996e-19 -2.6295083134871397e-18 -6.4173903333562794e-18 -1.1783736773042219e-17 -1.9141044028734598e-17 -2.4808743871509596e-17 -2.47911199285356e-17 -2.4778302515463596e-17 -2.47690098909864e-17 -2.476163987847e-17 -2.47545903012804e-17 -2.4747861159417597e-17 -2.4741772888208396e-17 -2.4736806140643e-17 -2.47329609167214e-17 -2.4729916781116797e-17 -2.4727833951492598e-17 -2.47270328631756e-17 -2.47273532985024e-17 -2.4728635039809597e-17 -2.47307178694338e-17 -2.4733601787375e-17 -2.4737447011296598e-17 -2.4741772888208396e-17 -2.4746419200447e-17 -2.4750424642031998e-17 -2.4752827906983e-17 -2.47539494306268e-17 -2.4755391389597397e-17 -2.47597172665092e-17 -2.47706120676204e-17 -2.47940038464768e-17 -2.48391852275556e-17 -2.4917691882621598e-17 -2.50455455780148e-17 -2.52305969792418e-17 ] } }