{ "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" [ "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "a" { "source-value" [ 9.74 9.087383 8.682918 8.389052 8.158109 7.967838 7.806036 7.665282 7.540724 7.429018 7.327758 7.235155 7.149846 7.070765 6.997064 6.928057 6.863183 6.801973 6.744036 6.689041 6.636701 6.586773 6.539045 6.49333 6.462208 6.429454 6.394886 6.358293 6.31942 6.277967 6.233566 6.185765 6.133999 6.077551 6.015491 5.946575 5.869101 5.780636 5.677539 5.553991 5.39982 5.19466 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.740000000000002e-10 9.087383000000001e-10 8.682918000000001e-10 8.389052e-10 8.158109e-10 7.967838000000001e-10 7.806036e-10 7.665282000000001e-10 7.540724e-10 7.429018e-10 7.327758e-10 7.235155e-10 7.149846000000001e-10 7.070765e-10 6.997064e-10 6.928057e-10 6.863183e-10 6.801973000000001e-10 6.744036000000001e-10 6.689041e-10 6.636701000000001e-10 6.586773e-10 6.539045e-10 6.493330000000001e-10 6.462208e-10 6.429454e-10 6.394886e-10 6.358292999999999e-10 6.31942e-10 6.277967e-10 6.233566e-10 6.185765e-10 6.133999e-10 6.077551e-10 6.015491e-10 5.946575e-10 5.869101e-10 5.780636000000001e-10 5.677539e-10 5.553991e-10 5.39982e-10 5.19466e-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" [ 0.98149 1.4712 1.90159 2.29605 2.66477 3.01016 3.336 3.64228 3.92999 4.19968 4.45197 4.68735 4.90518 5.10536 5.28849 5.45428 5.60178 5.73068 5.84064 5.93132 6.00234 6.05329 6.08467 6.09526 6.08993 6.07198 6.03781 5.98266 5.90045 5.78235 5.61621 5.38504 5.06427 4.61741 3.98845 3.08847 1.76759 -0.238976 -3.44154 -8.92954 -19.389 -43.2088 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5725203315489921e-19 2.35712224452096e-19 3.046683040347072e-19 3.6786776301878403e-19 4.269432193809216e-19 4.822807976867328e-19 5.3448612069888e-19 5.835575862407424e-19 6.296538097977792e-19 6.728629110841344e-19 7.1328422505029765e-19 7.509962583506881e-19 7.858964716815744e-19 8.179688432767489e-19 8.473095037334593e-19 8.738719899297023e-19 8.975040950865025e-19 9.181561517286146e-19 9.357736858509312e-19 9.503022234483457e-19 9.616808818092672e-19 9.698439716922433e-19 9.748716019283137e-19 9.765683069697407e-19 9.757143468308545e-19 9.728384397965185e-19 9.67363802283245e-19 9.58527798219533e-19 9.45356304219936e-19 9.26434598328288e-19 8.998160359503167e-19 8.627785190072833e-19 8.113854995418816e-19 7.397906350648128e-19 6.39020134322976e-19 4.948274428042177e-19 2.8319913731598723e-19 -3.828817601323008e-20 -5.513954927548032e-19 -1.4306700222498432e-18 -3.1064602500691202e-18 -6.922812917282304e-18 ] } }