{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.30743 4.018816 3.839945 3.709986 3.607853 3.523708 3.452152 3.389905 3.334821 3.28542 3.240638 3.199685 3.161958 3.126985 3.094392 3.063874 3.035184 3.008115 2.982493 2.958171 2.935025 2.912945 2.891837 2.87162 2.857857 2.843372 2.828085 2.811901 2.794711 2.776379 2.756743 2.735603 2.71271 2.687747 2.660302 2.629825 2.595563 2.55644 2.510847 2.45621 2.388029 2.2973 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3074300000000003e-10 4.0188160000000006e-10 3.839945e-10 3.709986e-10 3.607853e-10 3.5237080000000004e-10 3.452152e-10 3.3899050000000004e-10 3.334821e-10 3.28542e-10 3.2406380000000004e-10 3.199685e-10 3.161958e-10 3.126985e-10 3.094392e-10 3.063874e-10 3.035184e-10 3.0081150000000003e-10 2.982493e-10 2.958171e-10 2.935025e-10 2.912945e-10 2.891837e-10 2.8716200000000004e-10 2.8578570000000003e-10 2.843372e-10 2.828085e-10 2.811901e-10 2.794711e-10 2.776379e-10 2.756743e-10 2.735603e-10 2.71271e-10 2.687747e-10 2.660302e-10 2.629825e-10 2.595563e-10 2.55644e-10 2.510847e-10 2.4562100000000004e-10 2.388029e-10 2.2973e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.897662 1.34391 1.67915 1.94772 2.17235 2.36381 2.5324 2.68086 2.81104 2.92551 3.02629 3.11391 3.18721 3.25084 3.30562 3.3523 3.39153 3.42387 3.45007 3.47251 3.48941 3.50111 3.50793 3.51015 3.50908 3.50603 3.50004 3.49046 3.47642 3.45676 3.42919 3.39252 3.34406 3.28008 3.19527 3.08179 2.92766 2.71366 2.40703 1.94459 1.19877 -0.142575 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4382130697805696e-19 2.1531811824593281e-19 2.69029487281632e-19 3.120591447864576e-19 3.48048838219488e-19 3.7872411180132483e-19 4.0573520745139204e-19 4.295211215637888e-19 4.503782568133633e-19 4.687183725916609e-19 4.848651085760832e-19 4.989033801275329e-19 5.106473347579968e-19 5.208419845961473e-19 5.296187081248896e-19 5.370976685907841e-19 5.433830074741824e-19 5.485644466658496e-19 5.527621494123457e-19 5.563574337494209e-19 5.590651122385728e-19 5.609396588849088e-19 5.620323433402944e-19 5.62388026550112e-19 5.622165936516864e-19 5.617279297823425e-19 5.607682259864832e-19 5.592333407837569e-19 5.5698388480815365e-19 5.538340055716609e-19 5.494168046281153e-19 5.435416229596416e-19 5.357774750552448e-19 5.255267490353665e-19 5.119386891143616e-19 4.937571888215232e-19 4.6906284056513285e-19 4.347762608800128e-19 3.856487191564224e-19 3.115576635041472e-19 1.9206412677164159e-19 -2.2843033171056e-20 ] } }