{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.14657 8.533715 8.153893 7.877931 7.661059 7.48238 7.330436 7.198258 7.08129 6.97639 6.881299 6.794338 6.714227 6.639964 6.570753 6.50595 6.445028 6.387548 6.333142 6.281496 6.232346 6.18546 6.14064 6.09771 6.068485 6.037726 6.005265 5.970901 5.934397 5.89547 5.853774 5.808885 5.760273 5.707265 5.648986 5.58427 5.511516 5.428441 5.331626 5.215607 5.070829 4.87817 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.146570000000001e-10 8.533715000000001e-10 8.153893e-10 7.877931000000001e-10 7.661059e-10 7.482380000000001e-10 7.330436e-10 7.198258e-10 7.08129e-10 6.976390000000001e-10 6.881299e-10 6.794338e-10 6.714227000000001e-10 6.639964e-10 6.570753e-10 6.505950000000001e-10 6.445028e-10 6.387548e-10 6.333142e-10 6.281496e-10 6.232345999999999e-10 6.185460000000001e-10 6.140640000000001e-10 6.097710000000001e-10 6.068485e-10 6.037726000000001e-10 6.005265e-10 5.970901e-10 5.934397e-10 5.895470000000001e-10 5.853774e-10 5.808885e-10 5.760273e-10 5.707265e-10 5.648986000000001e-10 5.58427e-10 5.511516000000001e-10 5.428441e-10 5.331626e-10 5.215607e-10 5.070829e-10 4.878170000000001e-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" [ 0.630643 1.0922 1.33179 1.48604 1.59682 1.68645 1.77855 1.87635 1.97212 2.06077 2.14059 2.21076 2.27048 2.31926 2.3574 2.38665 2.40937 2.42746 2.44213 2.4541 2.46378 2.47103 2.47555 2.4771 2.4763 2.47361 2.46845 2.46011 2.44762 2.42976 2.40485 2.37068 2.32419 2.26126 2.17602 2.05998 1.90156 1.68533 1.39112 0.989881 0.435598 -0.360178 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0104014789956619e-19 1.7498973196548e-19 2.1337628193948598e-19 2.38089856518936e-19 2.5583876927038796e-19 2.7019907844093e-19 2.8495512524007e-19 3.0062441272058997e-19 3.15968458344408e-19 3.30171754204818e-19 3.4296032809740596e-19 3.54202801538184e-19 3.6377100039643197e-19 3.7158641801708395e-19 3.7769711969916e-19 3.8238348635361e-19 3.86023631666058e-19 3.8892196919696397e-19 3.9127236231904197e-19 3.9319016774994e-19 3.9474107473165194e-19 3.9590265279130196e-19 3.9662683662987e-19 3.9687517400813997e-19 3.9674699987742e-19 3.9631601436287394e-19 3.954892912197299e-19 3.9415307590697394e-19 3.92151957291108e-19 3.8929046982278396e-19 3.8529944782749e-19 3.79824810269112e-19 3.72376291097646e-19 3.62293793539884e-19 3.4863683991166793e-19 3.3004518225073197e-19 3.0466350001490396e-19 2.70019634657922e-19 2.22881995909008e-19 1.585964208640554e-19 6.979049374171319e-20 -5.77068775680852e-20 ] } }