{ "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" [ 1.40221 1.73825 1.95009 2.11839 2.25829 2.37572 2.4719 2.54859 2.60853 2.65517 2.69159 2.72037 2.74383 2.76398 2.78223 2.79894 2.81396 2.82699 2.83782 2.84638 2.85277 2.85716 2.85972 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" [ 2.246588079451968e-19 2.7849835111056003e-19 3.1243886064558726e-19 3.3940349317365126e-19 3.6181794409864326e-19 3.806323041566976e-19 3.9604203889555206e-19 4.083291314004672e-19 4.179325780655424e-19 4.2540512982495363e-19 4.3124025707790724e-19 4.358513213925696e-19 4.396100277449664e-19 4.428384136358784e-19 4.457623859688385e-19 4.484396231021952e-19 4.508460923866368e-19 4.529337285235392e-19 4.546688858038656e-19 4.5604034899127045e-19 4.570641398519616e-19 4.577674953884928e-19 4.581776526034176e-19 4.58310633262944e-19 4.582465461981121e-19 4.580334567075456e-19 4.57637719082208e-19 4.570160745533376e-19 4.561092425859649e-19 4.548435230555328e-19 4.531163766583104e-19 4.507916183815296e-19 4.4768820226704e-19 4.43570608351584e-19 4.381488426667969e-19 4.310960611820352e-19 4.2186592166960645e-19 4.0780521964546557e-19 3.7928327144198403e-19 3.190077847908672e-19 1.6734895021918083e-19 -1.9363746421326722e-19 ] } }