{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.79075 6.335745 6.053752 5.848868 5.687855 5.555198 5.442389 5.344255 5.257414 5.179532 5.108934 5.044371 4.984893 4.929758 4.878373 4.830262 4.785031 4.742356 4.701963 4.66362 4.627128 4.592319 4.559042 4.52717 4.505472 4.482636 4.458535 4.433022 4.405921 4.37702 4.346063 4.312736 4.276645 4.23729 4.194021 4.145974 4.091959 4.030281 3.958402 3.872265 3.764777 3.62174 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.790750000000001e-10 6.335745e-10 6.053752000000001e-10 5.848868e-10 5.687855e-10 5.555198e-10 5.442389e-10 5.344255000000001e-10 5.257414e-10 5.179532e-10 5.108934e-10 5.044371e-10 4.984893e-10 4.929758e-10 4.878373e-10 4.830262000000001e-10 4.785031e-10 4.742356000000001e-10 4.701963e-10 4.66362e-10 4.627128e-10 4.592319e-10 4.559042e-10 4.52717e-10 4.5054720000000005e-10 4.482636e-10 4.4585350000000005e-10 4.4330220000000004e-10 4.405921e-10 4.37702e-10 4.346063e-10 4.312736e-10 4.2766450000000004e-10 4.23729e-10 4.194021e-10 4.145974e-10 4.0919590000000003e-10 4.0302809999999997e-10 3.958402e-10 3.8722650000000004e-10 3.764777e-10 3.62174e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.364836 0.540631 0.681123 0.796658 0.897588 0.985481 1.06269 1.1309 1.19132 1.24492 1.29244 1.33451 1.37162 1.40419 1.4326 1.45714 1.47809 1.49569 1.51014 1.52163 1.53033 1.53638 1.53992 1.54108 1.54052 1.53868 1.53526 1.5299 1.52211 1.51128 1.49659 1.47695 1.45085 1.4162 1.36998 1.30773 1.22256 1.1033 0.93075 0.668958 0.242402 -0.538002 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.845317096261889e-20 8.661863486797248e-20 1.0912793464891585e-19 1.2763868223732864e-19 1.4380945087106306e-19 1.578914618442605e-19 1.7026170731579519e-19 1.81190154046272e-19 1.908705051891456e-19 1.994581718766336e-19 2.070717151786752e-19 2.1381207222238082e-19 2.1975774966216964e-19 2.2497603891611523e-19 2.2952782269580804e-19 2.3345956412325123e-19 2.368161241438272e-19 2.396359549964352e-19 2.4195110021349123e-19 2.4379200115079043e-19 2.451858948108864e-19 2.4615521166647044e-19 2.467223821902336e-19 2.469082346782464e-19 2.468185127874816e-19 2.4652371228925444e-19 2.4597576788494084e-19 2.45117001216192e-19 2.438689056285888e-19 2.4213374834826243e-19 2.3978015089230722e-19 2.36633476009056e-19 2.32451795028768e-19 2.26900253037696e-19 2.194949926963584e-19 2.095214432318784e-19 1.9587570495252482e-19 1.76768146572864e-19 1.4912258898096e-19 1.0717888678971265e-19 3.8837081723516163e-20 -8.619742263436416e-20 ] } }