{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 9.37067 8.7428 8.353671 8.070948 7.848762 7.665706 7.510039 7.374622 7.254788 7.147318 7.049897 6.960806 6.878732 6.802649 6.731743 6.665353 6.602938 6.54405 6.48831 6.435399 6.385045 6.33701 6.291092 6.24711 6.217169 6.185656 6.1524 6.117194 6.079796 6.039915 5.997197 5.951208 5.901406 5.847099 5.787392 5.72109 5.646554 5.561444 5.462257 5.343394 5.19507 4.99769 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.37067e-10 8.742800000000001e-10 8.353671000000001e-10 8.070948e-10 7.848762e-10 7.665706000000001e-10 7.510039e-10 7.374622e-10 7.254788e-10 7.147318e-10 7.049897e-10 6.960806e-10 6.878732e-10 6.802649e-10 6.731743e-10 6.665353e-10 6.602938e-10 6.544050000000001e-10 6.48831e-10 6.435399000000001e-10 6.385045e-10 6.33701e-10 6.291092e-10 6.24711e-10 6.217169e-10 6.185656e-10 6.1524e-10 6.117193999999999e-10 6.079796e-10 6.039915e-10 5.997197e-10 5.951208000000001e-10 5.901406e-10 5.847099e-10 5.787392e-10 5.72109e-10 5.646554000000001e-10 5.561444e-10 5.462257000000001e-10 5.343394000000001e-10 5.195070000000001e-10 4.99769e-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" [ 0.0520252 -0.0716165 -0.188985 -0.24838 -0.272275 -0.284816 -0.293119 -0.298591 -0.301506 -0.288599 -0.264139 -0.24287 -0.231138 -0.233731 -0.238049 -0.222409 -0.207629 -0.194169 -0.182646 -0.173363 -0.166198 -0.161093 -0.157999 -0.156957 -0.157478 -0.159225 -0.162519 -0.167799 -0.175646 -0.186789 -0.202153 -0.22294 -0.250133 -0.285011 -0.33028 -0.389918 -0.470325 -0.582165 -0.743334 -0.988088 -1.37689 -2.04157 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.335355913244416e-21 -1.1474228196352321e-20 -3.02787348681888e-20 -3.97948629074304e-20 -4.3623263942832e-20 -4.5632553642977286e-20 -4.6962840891227525e-20 -4.7839551938129284e-20 -4.830658642309248e-20 -4.623865705862592e-20 -4.2319733044149123e-20 -3.8912063589369605e-20 -3.7032389977847044e-20 -3.744783437562048e-20 -3.8139654240481924e-20 -3.563385000555072e-20 -3.326583296000832e-20 -3.1109303228411525e-20 -2.926311510826368e-20 -2.777581455117504e-20 -2.6627855002371844e-20 -2.580994383745344e-20 -2.531423039097792e-20 -2.5147283587090564e-20 -2.5230756989034242e-20 -2.5510657244688e-20 -2.603841422357952e-20 -2.6884363479361923e-20 -2.8141591473703683e-20 -2.9926896882261123e-20 -3.238848104245824e-20 -3.5718925584115204e-20 -4.007572446905664e-20 -4.566379608708288e-20 -5.291668943178241e-20 -6.247175036290944e-20 -7.5354371917776e-20 -9.327311524480322e-20 -1.1909523562457474e-19 -1.5830914928930305e-19 -2.2060209674133122e-19 -3.2709557237266566e-19 ] } }