{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.18637 7.637853 7.297904 7.050913 6.856808 6.696887 6.560894 6.442592 6.337903 6.244016 6.158907 6.081076 6.009375 5.942908 5.880963 5.822963 5.768437 5.716991 5.668296 5.622073 5.578082 5.536118 5.496003 5.45758 5.418736 5.378707 5.337419 5.294789 5.250728 5.205136 5.157903 5.108906 5.058008 5.005056 4.949877 4.892276 4.83203 4.768885 4.702547 4.632675 4.558874 4.480673 4.397515 4.308728 4.213496 4.110808 3.999397 3.877642 3.743424 3.593899 3.425118 3.231379 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.186370000000001e-10 7.637853e-10 7.297904e-10 7.050913000000001e-10 6.856808e-10 6.696887000000001e-10 6.560894000000001e-10 6.442592000000001e-10 6.337903e-10 6.244016e-10 6.158907e-10 6.081076e-10 6.009375e-10 5.942908000000001e-10 5.880963e-10 5.822963e-10 5.768437e-10 5.716991e-10 5.668296e-10 5.622073e-10 5.578082e-10 5.536118000000001e-10 5.496003e-10 5.457580000000001e-10 5.418736e-10 5.378707e-10 5.337418999999999e-10 5.294789e-10 5.250728e-10 5.205136000000001e-10 5.157903e-10 5.108906000000001e-10 5.058008e-10 5.005056e-10 4.949877e-10 4.892276e-10 4.83203e-10 4.768885e-10 4.702547000000001e-10 4.632675e-10 4.5588740000000006e-10 4.4806730000000005e-10 4.397515e-10 4.3087280000000005e-10 4.213496e-10 4.110808e-10 3.999397e-10 3.877642e-10 3.743424e-10 3.593899e-10 3.425118e-10 3.2313790000000004e-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" [ 1.22324 1.52544 1.7205 1.90843 2.06398 2.17869 2.28209 2.38007 2.47028 2.5484 2.61212 2.66146 2.69733 2.72097 2.73424 2.73981 2.74116 2.74211 2.74448 2.7483 2.75278 2.75696 2.75992 2.761 2.75974 2.75556 2.74779 2.73565 2.71824 2.69455 2.6635 2.62414 2.57579 2.51796 2.45008 2.37055 2.27535 2.15643 1.99171 1.72091 1.28138 0.696223 -0.0680335 -0.999502 -2.10696 -4.0849 -11.4317 -45.6032 -200.142 -883.45 -3995.81 -19572.3 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9598465457741601e-19 2.4440243245689595e-19 2.7565448987969995e-19 3.05764195362462e-19 3.30686052904332e-19 3.49064621072946e-19 3.65631127468506e-19 3.8132925412843794e-19 3.9578248954375195e-19 4.0829869340856e-19 4.1850776292040798e-19 4.2641290243256395e-19 4.32159910018722e-19 4.359474555814979e-19 4.380735439748159e-19 4.389659563599539e-19 4.3918225020554395e-19 4.39334456985774e-19 4.3971417284803195e-19 4.4032620432222e-19 4.41043979454252e-19 4.417136892872639e-19 4.42187933570928e-19 4.423609686474e-19 4.421590943915159e-19 4.4148938455850395e-19 4.40244493313886e-19 4.3829945088021e-19 4.35510061360416e-19 4.3171450491446995e-19 4.2673974646589997e-19 4.20433579234476e-19 4.1268705520908596e-19 4.0342166773466397e-19 3.9254609274307193e-19 3.7980398197287e-19 3.6455126041718995e-19 3.4549817588566197e-19 3.19107122370414e-19 2.7572017912169396e-19 2.0529970952749198e-19 1.115472222653382e-19 -1.09001684029239e-20 -1.6013787500362678e-19 -3.3757220807726395e-19 -6.5447313322266e-19 -1.83156026268978e-18 -7.30643814756288e-18 -3.20662835882028e-17 -1.4154429473073e-16 -6.40199341590354e-16 -3.1358281733638195e-15 ] } }