{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.69543 8.112803 7.751715 7.489365 7.283189 7.113324 6.968874 6.843215 6.732016 6.63229 6.541889 6.459218 6.383058 6.312458 6.246661 6.185055 6.127138 6.072492 6.020769 5.971672 5.924945 5.880372 5.837762 5.79695 5.755691 5.713173 5.669317 5.624036 5.577235 5.528808 5.478637 5.426593 5.37253 5.316286 5.257676 5.196493 5.1325 5.065428 4.994965 4.920749 4.842357 4.759294 4.670964 4.576657 4.475502 4.366429 4.248089 4.118763 3.976199 3.817376 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.69543e-10 8.112803e-10 7.751715e-10 7.489365e-10 7.283189000000001e-10 7.113324000000001e-10 6.968874e-10 6.843215e-10 6.732016e-10 6.632290000000001e-10 6.541889000000001e-10 6.459218e-10 6.383058e-10 6.312458000000001e-10 6.246661e-10 6.185055000000001e-10 6.127138e-10 6.072492e-10 6.020769e-10 5.971672000000001e-10 5.924945000000001e-10 5.880372000000001e-10 5.837762e-10 5.79695e-10 5.755691e-10 5.713173e-10 5.669317e-10 5.624036000000001e-10 5.577235e-10 5.528808e-10 5.478637e-10 5.426593e-10 5.37253e-10 5.316286e-10 5.257676e-10 5.196493e-10 5.132500000000001e-10 5.065428e-10 4.994965e-10 4.920749e-10 4.842356999999999e-10 4.759293999999999e-10 4.670964e-10 4.576657e-10 4.475502e-10 4.3664290000000005e-10 4.248089e-10 4.1187630000000004e-10 3.976199e-10 3.817376e-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" [ 0.584512 0.865571 1.09704 1.30196 1.49442 1.67824 1.84852 2.00061 2.13419 2.25138 2.3547 2.44629 2.52785 2.60064 2.66555 2.72312 2.77366 2.81724 2.85387 2.88355 2.90634 2.92236 2.93179 2.93487 2.93155 2.92081 2.90134 2.87165 2.83 2.77429 2.70207 2.61042 2.49595 2.35463 2.1816 1.96968 1.70981 1.39048 0.996546 0.507965 -0.102024 -0.869505 -1.84407 -3.09482 -4.71984 -6.8619 -9.73825 -13.6952 -19.3021 -27.5261 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.36491468692608e-20 1.386797631268014e-19 1.75765185456336e-19 2.08596989040264e-19 2.39432480538228e-19 2.6888369142441597e-19 2.9616555514816796e-19 3.20533059574674e-19 3.4193493505164593e-19 3.60710843025492e-19 3.7726453200797996e-19 3.9193886779878597e-19 4.0500622042568998e-19 4.1666846414457597e-19 4.2706819267587e-19 4.36291923557808e-19 4.44389324266044e-19 4.51371610037016e-19 4.57240383047358e-19 4.619956432970699e-19 4.65647003845956e-19 4.682136908136239e-19 4.69724543379486e-19 4.70218013782758e-19 4.6968609114027e-19 4.679653534353539e-19 4.64845915528956e-19 4.600890531026099e-19 4.53415987422e-19 4.44490261393986e-19 4.3291934174323797e-19 4.1823539289262795e-19 3.9989527696323e-19 3.7725331677154196e-19 3.4953085447344e-19 3.1557752724571197e-19 2.7394176305795397e-19 2.2277945660443196e-19 1.596642715906164e-19 8.138496538898099e-20 -1.63460468907216e-20 -1.39310059414617e-19 -2.9545258654603797e-19 -4.95844829043588e-19 -7.562017364218559e-19 -1.09939758448446e-18 -1.56023966060505e-18 -2.1942129437956797e-18 -3.0925373607131396e-18 -4.41016742451474e-18 ] } }