{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.2569 8.636654 8.252251 7.972961 7.753473 7.57264 7.418863 7.285091 7.166712 7.060547 6.964309 6.8763 6.795222 6.720063 6.650018 6.584434 6.522777 6.464604 6.409541 6.357273 6.30753 6.260079 6.214717 6.17127 6.141692 6.110563 6.07771 6.042931 6.005987 5.96659 5.924391 5.878961 5.829763 5.776116 5.717134 5.651637 5.578005 5.493929 5.395946 5.278527 5.132003 4.93702 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.2569e-10 8.636654000000001e-10 8.252250999999999e-10 7.972961e-10 7.753473e-10 7.57264e-10 7.418863000000001e-10 7.285091e-10 7.166712e-10 7.060547e-10 6.964309e-10 6.8763e-10 6.795222e-10 6.720063e-10 6.650018e-10 6.584434e-10 6.522776999999999e-10 6.464604e-10 6.409541e-10 6.357273e-10 6.30753e-10 6.260079e-10 6.214717e-10 6.17127e-10 6.141692e-10 6.110563e-10 6.07771e-10 6.042931e-10 6.005987000000001e-10 5.96659e-10 5.924391e-10 5.878961e-10 5.829763e-10 5.776116e-10 5.717134e-10 5.651637e-10 5.578005e-10 5.493929e-10 5.395946e-10 5.278527e-10 5.132003e-10 4.937020000000001e-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" [ 0.344027 0.528558 0.67997 0.815588 0.94593 1.06468 1.16908 1.26083 1.34199 1.41421 1.47906 1.53799 1.59207 1.64179 1.6872 1.7282 1.76472 1.79671 1.82381 1.8457 1.86235 1.8739 1.88061 1.88277 1.88174 1.8784 1.87231 1.86292 1.84954 1.83128 1.80701 1.77523 1.73393 1.68037 1.61073 1.5194 1.3978 1.23226 1.00002 0.661633 0.142649 -0.731406 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.511920163239617e-20 8.468432703368063e-20 1.089432036845376e-19 1.3067160258050303e-19 1.5155469309133441e-19 1.7058054046333442e-19 1.873072643844864e-19 2.0200723488032639e-19 2.150105003347392e-19 2.2658141989015683e-19 2.369715352760448e-19 2.464131621024192e-19 2.5507773326770565e-19 2.630437554263232e-19 2.70319239461376e-19 2.7688816360665603e-19 2.8273931262581765e-19 2.878646756357568e-19 2.922065742781248e-19 2.95713738901056e-19 2.98381362974688e-19 3.00231876971712e-19 3.013069374842688e-19 3.0165300763436163e-19 3.0148798344241923e-19 3.0095285645107203e-19 2.999771308890048e-19 2.984726870420736e-19 2.963289747234432e-19 2.934034002138624e-19 2.895149175551808e-19 2.844232002542784e-19 2.7780621081037444e-19 2.692249528293696e-19 2.5806739484211843e-19 2.4343471576435203e-19 2.23952248055424e-19 1.974298162747008e-19 1.6022086643324159e-19 1.0600529241497665e-19 2.285488927804992e-20 -1.171841593512845e-19 ] } }