{ "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" [ "N" "N" ] } "a" { "source-value" [ 3.47034 3.237814 3.093704 2.989001 2.906716 2.838923 2.781274 2.731123 2.686744 2.646943 2.610864 2.57787 2.547475 2.519299 2.493039 2.468452 2.445337 2.423529 2.402886 2.383291 2.364643 2.346854 2.329848 2.31356 2.302471 2.290801 2.278485 2.265447 2.251597 2.236827 2.221007 2.203976 2.185532 2.16542 2.143308 2.118754 2.09115 2.05963 2.022897 1.978878 1.923948 1.85085 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.47034e-10 3.237814e-10 3.093704e-10 2.989001e-10 2.906716e-10 2.838923e-10 2.781274e-10 2.731123e-10 2.686744e-10 2.6469429999999997e-10 2.610864e-10 2.57787e-10 2.547475e-10 2.5192990000000005e-10 2.493039e-10 2.468452e-10 2.4453369999999997e-10 2.423529e-10 2.402886e-10 2.383291e-10 2.364643e-10 2.3468540000000003e-10 2.3298480000000004e-10 2.3135599999999998e-10 2.302471e-10 2.290801e-10 2.278485e-10 2.265447e-10 2.2515969999999998e-10 2.236827e-10 2.2210070000000003e-10 2.203976e-10 2.185532e-10 2.1654200000000003e-10 2.1433080000000002e-10 2.118754e-10 2.0911499999999998e-10 2.05963e-10 2.0228970000000001e-10 1.978878e-10 1.923948e-10 1.85085e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0413831 0.202851 0.445392 0.728587 1.01937 1.29273 1.5309 1.72239 1.86069 1.94321 1.97025 1.95724 1.91486 1.83764 1.71949 1.55378 1.33353 1.0517 0.701852 0.253323 -0.377578 -1.24437 -2.4049 -3.91606 -5.87638 -8.70242 -12.8611 -19.0565 -28.2874 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 6.630303586248539e-21 3.25003132383534e-20 7.13596655370528e-20 1.1673250672361578e-19 1.63321079540058e-19 2.0711818000708196e-19 2.4527722089905996e-19 2.75957301263526e-19 2.9811540411174597e-19 3.11336565695514e-19 3.1566885131385e-19 3.13584419513016e-19 3.0679439493812396e-19 2.9442238697037597e-19 2.75492670039666e-19 2.48943001037652e-19 2.13655060673802e-19 1.6850091659778e-19 1.1244908749261679e-19 4.05868191454782e-20 -6.04946649112452e-20 -1.9937005380505798e-19 -3.8530745871065996e-19 -6.27421982934204e-19 -9.41499872850492e-19 -1.394281398325428e-18 -2.0605753907537398e-18 -3.0531879025820998e-18 -4.53214113166116e-18 ] } }