{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.91124 7.381158 7.052634 6.813944 6.626362 6.471816 6.340394 6.226068 6.124897 6.034165 5.951917 5.876701 5.80741 5.743177 5.683313 5.627263 5.57457 5.524853 5.477794 5.433124 5.390612 5.350059 5.311292 5.27416 5.248882 5.222277 5.1942 5.164477 5.132904 5.099234 5.06317 5.024343 4.982297 4.936449 4.88604 4.830064 4.767137 4.695282 4.611543 4.511193 4.385969 4.21933 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.911240000000001e-10 7.381158e-10 7.052634000000001e-10 6.813944e-10 6.626362e-10 6.471816e-10 6.340394e-10 6.226068e-10 6.124897e-10 6.034165e-10 5.951917e-10 5.876701e-10 5.80741e-10 5.743177e-10 5.683313e-10 5.627263e-10 5.574569999999999e-10 5.524853000000001e-10 5.477794000000001e-10 5.433124e-10 5.390612e-10 5.350059e-10 5.311292000000001e-10 5.27416e-10 5.248882e-10 5.222277000000001e-10 5.194200000000001e-10 5.164477e-10 5.132904e-10 5.099234e-10 5.06317e-10 5.024343e-10 4.982297000000001e-10 4.936449e-10 4.886040000000001e-10 4.830064000000001e-10 4.767137e-10 4.695282e-10 4.6115430000000003e-10 4.5111929999999997e-10 4.3859690000000006e-10 4.2193300000000004e-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" [ 1.36143 1.65933 1.83764 1.97783 2.09525 2.19583 2.28065 2.35128 2.41016 2.46037 2.50455 2.54479 2.58284 2.6201 2.65732 2.69413 2.72963 2.76275 2.79242 2.8177 2.8378 2.85196 2.85937 2.86055 2.86015 2.85882 2.85635 2.85247 2.84681 2.83891 2.82813 2.81362 2.79425 2.76855 2.73471 2.69069 2.63308 2.54532 2.3673 1.99109 1.04451 -1.20859 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.18125133482662e-19 2.6585397540952197e-19 2.9442238697037597e-19 3.16883301202422e-19 3.3569605923885e-19 3.5181075182362197e-19 3.6540041403320998e-19 3.7671658759915197e-19 3.8615020362014396e-19 3.94194732499458e-19 4.0127314886847e-19 4.0772030764368594e-19 4.1381658973605597e-19 4.1978629987433996e-19 4.2574960130608794e-19 4.3164721349584196e-19 4.37334940546542e-19 4.4264134955835e-19 4.473950076314279e-19 4.5144531016218e-19 4.5466568519652e-19 4.569343673102639e-19 4.58121580196058e-19 4.583106370388699e-19 4.582465499735099e-19 4.58033460481188e-19 4.5763772285259e-19 4.57016078318598e-19 4.56109246343754e-19 4.54843526802894e-19 4.5311638039144195e-19 4.507916220955079e-19 4.476882059554499e-19 4.4357061200607e-19 4.38148846276614e-19 4.31096064733746e-19 4.21865925145272e-19 4.0780522300528796e-19 3.7928327456682e-19 3.1900778741910596e-19 1.67348951597934e-19 -1.93637465808606e-19 ] } }