{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.075 5.667953 5.415681 5.232392 5.088349 4.969674 4.868755 4.780965 4.703277 4.633604 4.570446 4.512688 4.45948 4.410155 4.364187 4.321146 4.280683 4.242506 4.20637 4.172068 4.139423 4.108282 4.078513 4.05 4.021174 3.99147 3.96083 3.929195 3.896498 3.862665 3.827613 3.791253 3.753483 3.714188 3.67324 3.630495 3.585788 3.538928 3.489699 3.437849 3.383082 3.32505 3.263339 3.197452 3.126781 3.050578 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.075e-10 5.667953e-10 5.415681e-10 5.232392e-10 5.088349e-10 4.969674000000001e-10 4.868755e-10 4.780965000000001e-10 4.703277000000001e-10 4.633604e-10 4.5704459999999997e-10 4.512688e-10 4.4594800000000003e-10 4.4101549999999995e-10 4.3641870000000003e-10 4.321146e-10 4.280683e-10 4.242506e-10 4.20637e-10 4.1720680000000007e-10 4.139423e-10 4.108282e-10 4.0785130000000005e-10 4.05e-10 4.0211740000000005e-10 3.9914700000000004e-10 3.96083e-10 3.929195e-10 3.896498e-10 3.8626649999999997e-10 3.8276130000000003e-10 3.791253e-10 3.7534830000000003e-10 3.7141880000000003e-10 3.67324e-10 3.630495e-10 3.585788e-10 3.538928e-10 3.489699e-10 3.437849e-10 3.383082e-10 3.3250500000000003e-10 3.2633390000000005e-10 3.1974520000000003e-10 3.126781e-10 3.050578e-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" [ 1.04912 1.46893 1.79114 2.03933 2.2399 2.4147 2.56655 2.68864 2.78671 2.86964 2.9429 3.00904 3.06887 3.1225 3.1703 3.2126 3.24953 3.28107 3.30712 3.32752 3.34249 3.35252 3.3582 3.36 3.35815 3.3524 3.34238 3.3277 3.30741 3.27998 3.24303 3.19334 3.12761 3.04335 2.93919 2.81352 2.66322 2.48293 2.2638 1.99235 1.65141 1.22532 0.703595 0.0604349 -0.754304 -1.76611 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.68087555026208e-19 2.35348532298162e-19 2.86972265622276e-19 3.26736687501522e-19 3.5887154424966e-19 3.8687759181197993e-19 4.1120664399926993e-19 4.3076761852377597e-19 4.46480164773414e-19 4.59767015599176e-19 4.7150456161986e-19 4.82101357877136e-19 4.91687180678358e-19 5.002796539665e-19 5.0793805827702e-19 5.1471526543884e-19 5.20632103748202e-19 5.25685368851838e-19 5.29859038983408e-19 5.331274793167679e-19 5.35525937737866e-19 5.37132920901768e-19 5.3804295722988e-19 5.38331349024e-19 5.3803494634671e-19 5.3711369478216e-19 5.355083137948919e-19 5.3315631849618e-19 5.29905502105794e-19 5.25510731598732e-19 5.19590688936102e-19 5.116294732417559e-19 5.010983662264739e-19 4.8759842590839e-19 4.70910154088646e-19 4.50775600329168e-19 4.26694885520148e-19 3.97809242985762e-19 3.6270074640491994e-19 3.1920966167499e-19 2.64585051515394e-19 1.96317907317288e-19 1.12728346879923e-19 9.682738465812659e-21 -1.208528243732736e-19 -2.82962017507374e-19 ] } }