{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.28376 4.929729 4.710315 4.550899 4.425617 4.322399 4.234625 4.158269 4.090699 4.030101 3.97517 3.924935 3.878656 3.835756 3.795775 3.75834 3.723147 3.689942 3.658513 3.628679 3.600286 3.573201 3.547309 3.52251 3.505627 3.487859 3.469106 3.449255 3.428168 3.40568 3.381594 3.355662 3.327581 3.296959 3.263293 3.225907 3.183879 3.135889 3.079961 3.012939 2.929305 2.81801 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.283760000000001e-10 4.929729e-10 4.710314999999999e-10 4.5508990000000005e-10 4.425617e-10 4.322399e-10 4.234625e-10 4.158269e-10 4.090699e-10 4.030101e-10 3.97517e-10 3.9249350000000004e-10 3.878656e-10 3.8357560000000003e-10 3.7957750000000003e-10 3.75834e-10 3.7231470000000003e-10 3.689942e-10 3.6585130000000004e-10 3.628679e-10 3.600286e-10 3.5732010000000004e-10 3.547309e-10 3.52251e-10 3.505627e-10 3.487859e-10 3.4691060000000003e-10 3.4492550000000003e-10 3.428168e-10 3.40568e-10 3.381594e-10 3.3556620000000004e-10 3.327581e-10 3.2969590000000005e-10 3.2632930000000003e-10 3.225907e-10 3.1838790000000003e-10 3.135889e-10 3.079961e-10 3.012939e-10 2.929305e-10 2.81801e-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" [ 0.338092 1.55397 2.39903 2.65988 2.96784 3.25737 3.50887 3.69629 3.82922 3.91931 3.97367 4.00435 4.03324 4.0735 4.11542 4.15295 4.18454 4.21073 4.23273 4.25122 4.2659 4.27611 4.28183 4.28362 4.28284 4.28023 4.27552 4.26864 4.25953 4.24819 4.23461 4.2184 4.19845 4.16763 4.1033 3.9528 3.72032 3.33526 2.86107 2.4499 1.19279 -11.1391 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.41683102542328e-20 2.48973442393698e-19 3.84366981026502e-19 4.2615975852439194e-19 4.75500390145056e-19 5.218882102292579e-19 5.62182952574358e-19 5.92210947048786e-19 6.13508681044548e-19 6.279426903402539e-19 6.36652122522678e-19 6.415676004357899e-19 6.46196288731416e-19 6.526466518599e-19 6.59362976309628e-19 6.653759452170299e-19 6.70437221203836e-19 6.746333218082819e-19 6.78158110403082e-19 6.81120534999348e-19 6.8347253029806e-19 6.85108352641374e-19 6.86024797676022e-19 6.86311587293508e-19 6.86186617516056e-19 6.85768449414582e-19 6.85013824219968e-19 6.839115266957761e-19 6.82451943782202e-19 6.806350754792459e-19 6.7845931961027395e-19 6.7586219128656e-19 6.7266584890173e-19 6.677279405157419e-19 6.5742113822922e-19 6.333083798875199e-19 5.96060977500288e-19 5.34367564031484e-19 4.58393950223838e-19 3.9251725356365996e-19 1.9110602672688598e-19 -1.7846805743789396e-18 ] } }