{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Tl" "Tl" ] } "a" { "source-value" [ 4.788 4.467186 4.268359 4.1239 4.010373 3.916839 3.837301 3.768109 3.706879 3.651966 3.602189 3.556667 3.514731 3.475856 3.439626 3.405703 3.373812 3.343723 3.315242 3.288208 3.262479 3.237935 3.214473 3.192 3.176701 3.1606 3.143607 3.125618 3.10651 3.086132 3.064305 3.040807 3.01536 2.987612 2.957104 2.923226 2.885141 2.841654 2.790974 2.73024 2.654453 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.788e-10 4.467186e-10 4.2683590000000003e-10 4.1239e-10 4.0103730000000006e-10 3.916839e-10 3.837301e-10 3.768109e-10 3.706879e-10 3.651966e-10 3.6021890000000003e-10 3.556667e-10 3.514731e-10 3.475856e-10 3.439626e-10 3.405703e-10 3.373812e-10 3.343723e-10 3.315242e-10 3.288208e-10 3.262479e-10 3.237935e-10 3.214473e-10 3.1920000000000005e-10 3.1767010000000003e-10 3.1606000000000004e-10 3.143607e-10 3.125618e-10 3.10651e-10 3.086132e-10 3.064305e-10 3.040807e-10 3.01536e-10 2.987612e-10 2.9571040000000003e-10 2.9232260000000003e-10 2.885141e-10 2.8416540000000005e-10 2.790974e-10 2.73024e-10 2.6544530000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.743907 1.11338 1.43887 1.73695 2.01405 2.27417 2.51886 2.7489 2.96502 3.16765 3.35729 3.53379 3.69712 3.84766 3.9854 4.11008 4.22106 4.31809 4.40095 4.46935 4.52308 4.56203 4.58563 4.59357 4.58958 4.57613 4.55063 4.50954 4.44809 4.35979 4.23552 4.06255 3.82248 3.48795 3.01713 2.34295 1.35361 -0.148957 -2.54806 -6.65898 -14.4982 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1918704034494655e-19 1.783831406066304e-19 2.305323874370496e-19 2.78290068149856e-19 3.2268638231222404e-19 3.643622005724736e-19 4.0356586030682885e-19 4.40422331291712e-19 4.750485724204416e-19 5.075134772877121e-19 5.378971547245632e-19 5.661755720816833e-19 5.923439228292096e-19 6.164630896787328e-19 6.38531470453632e-19 6.585074085617664e-19 6.762883646994047e-19 6.918342844510272e-19 7.05109919930976e-19 7.160688080172481e-19 7.246773030008065e-19 7.309177809388224e-19 7.346989177639105e-19 7.359710460008256e-19 7.353317775291264e-19 7.3317684997415045e-19 7.290912995911104e-19 7.225079558562433e-19 7.126625805214272e-19 6.985153609597633e-19 6.786051120930817e-19 6.50892263083104e-19 6.124288089475585e-19 5.588311944519361e-19 4.833975147914304e-19 3.7538197137033605e-19 2.168722295681088e-19 -2.3865542290450563e-20 -4.0824421603956484e-19 -1.0668862074374785e-18 -2.322867708368256e-18 ] } }