{ "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" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "a" { "source-value" [ 8.78832 8.19947 7.834524 7.569372 7.360994 7.189315 7.043322 6.916321 6.803934 6.703143 6.611777 6.528222 6.451248 6.379894 6.313394 6.25113 6.192594 6.137366 6.08509 6.035468 5.988242 5.943193 5.900128 5.85888 5.830799 5.801245 5.770055 5.737037 5.701963 5.66456 5.624497 5.581366 5.534658 5.483726 5.427729 5.365547 5.295643 5.215822 5.122798 5.011322 4.872214 4.6871 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.788320000000001e-10 8.19947e-10 7.834524000000001e-10 7.569372000000001e-10 7.360994e-10 7.189315e-10 7.043322e-10 6.916321000000001e-10 6.803934e-10 6.703143e-10 6.611777e-10 6.528222000000001e-10 6.451248e-10 6.379894e-10 6.313394e-10 6.251130000000001e-10 6.192594e-10 6.137366e-10 6.08509e-10 6.035468e-10 5.988242e-10 5.943193000000001e-10 5.900128e-10 5.85888e-10 5.830799e-10 5.801245e-10 5.770055000000001e-10 5.737037e-10 5.701963e-10 5.66456e-10 5.624497e-10 5.581366e-10 5.534658000000001e-10 5.483726e-10 5.427729000000001e-10 5.365547e-10 5.295643e-10 5.215822000000001e-10 5.122798000000001e-10 5.011322e-10 4.872213999999999e-10 4.6871e-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 0 0 0 0 0 2.65764e-07 0.0366604 0.129736 0.252875 0.384487 0.510201 0.621801 0.715389 0.789799 0.84546 0.883665 0.906104 0.917048 0.925319 0.93162 0.936033 0.938631 0.939483 0.939068 0.937696 0.935138 0.931105 0.925221 0.916993 0.905768 0.89066 0.87045 0.843414 0.807052 0.757613 0.689246 0.592346 0.450111 0.230534 -0.135127 -0.82392 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 4.2580086745029124e-26 5.8736435789176325e-21 2.0785998607610878e-20 4.0515041298480005e-20 6.160160824015296e-20 8.174321141087809e-20 9.962350249900609e-20 1.1461795305774913e-19 1.2653974929312192e-19 1.3545762458215682e-19 1.415787403619232e-19 1.4517386448133632e-19 1.4692728657513985e-19 1.4825244685820352e-19 1.492619783469696e-19 1.4996901888972864e-19 1.503852643758125e-19 1.5052176982390464e-19 1.5045527949414145e-19 1.5023546086176768e-19 1.4982562408216705e-19 1.491794662509984e-19 1.4823674552731968e-19 1.4691847460372545e-19 1.4512003134687745e-19 1.4269946290817282e-19 1.39461463957536e-19 1.3512981924554112e-19 1.2930398461698817e-19 1.2138298362141504e-19 1.104293827179917e-19 9.490429126243969e-20 7.211573209649088e-20 3.693561850995072e-20 -2.164973202388416e-20 -1.320065361409536e-19 ] } }