{ "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 6.05431 6.009586 5.963455 5.915826 5.866597 5.815657 5.762883 5.708139 5.651272 5.592109 5.530459 5.466102 5.39879 5.328238 5.254119 5.176052 5.093594 5.006221 4.913309 4.814109 4.707707 4.592975 4.468496 4.332461 4.182501 4.015437 ] "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 6.054310000000001e-10 6.009586e-10 5.963455e-10 5.915826e-10 5.866597e-10 5.815657e-10 5.762883000000001e-10 5.708139e-10 5.651272e-10 5.592109e-10 5.530459e-10 5.466102e-10 5.39879e-10 5.328238e-10 5.254119e-10 5.176052000000001e-10 5.093594000000001e-10 5.006221e-10 4.913309e-10 4.814109000000001e-10 4.707707e-10 4.5929750000000004e-10 4.4684960000000004e-10 4.3324610000000003e-10 4.1825010000000006e-10 4.0154370000000003e-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 2.47531 2.46928 2.45787 2.43971 2.41318 2.37635 2.32695 2.26241 2.1797 2.07527 1.94569 1.7878 1.59974 1.38009 1.128 0.843713 0.526104 0.173344 -0.212867 -0.628375 -1.05517 -1.44182 -1.69821 -1.71401 -1.23778 0.0961835 ] "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 3.9658838439065396e-19 3.9562227188035197e-19 3.93794188340958e-19 3.908846355736139e-19 3.86634060963612e-19 3.8073324442058997e-19 3.7281849184863e-19 3.62478043852794e-19 3.4922644091297997e-19 3.3249491032411803e-19 3.1173390550074595e-19 2.8643713862652e-19 2.5630660484751595e-19 2.21114795081706e-19 1.8072552431519996e-19 1.351777254402042e-19 8.42911535853936e-20 2.77727706444096e-20 -3.4105053354967796e-20 -1.00676774238975e-19 -1.6905687188977798e-19 -2.31005031443388e-19 -2.72083238162514e-19 -2.74614677244234e-19 -1.98314219403252e-19 1.54102956276339e-20 ] } }