{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.145 7.599255 7.261024 7.015281 6.822157 6.663044 6.527739 6.410034 6.305875 6.212461 6.127783 6.050345 5.979006 5.912875 5.851243 5.793537 5.739286 5.6881 5.639651 5.593661 5.549893 5.508141 5.468229 5.43 5.391352 5.351526 5.310446 5.268032 5.224194 5.178832 5.131837 5.083088 5.032447 4.979763 4.924863 4.867553 4.807612 4.744785 4.678782 4.609264 4.535835 4.458029 4.375292 4.286954 4.192203 4.090034 3.979186 3.858046 3.724507 3.575737 3.407809 3.21505 2.988819 2.715 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.145e-10 7.599255000000001e-10 7.261024e-10 7.015281e-10 6.822157e-10 6.663044e-10 6.527739e-10 6.410034e-10 6.305875e-10 6.212461e-10 6.127783e-10 6.050345e-10 5.979006000000001e-10 5.912875e-10 5.851243000000001e-10 5.793537e-10 5.739286e-10 5.6881e-10 5.639651e-10 5.593661e-10 5.549893e-10 5.508141e-10 5.468229e-10 5.43e-10 5.391352000000001e-10 5.351526e-10 5.310446e-10 5.268032e-10 5.224194e-10 5.178832e-10 5.131837e-10 5.083088e-10 5.032447000000001e-10 4.979763e-10 4.924863000000001e-10 4.867553e-10 4.807612e-10 4.744785e-10 4.678782e-10 4.6092639999999997e-10 4.535835e-10 4.458029e-10 4.375292e-10 4.286954e-10 4.192203e-10 4.0900340000000003e-10 3.9791860000000003e-10 3.858046e-10 3.724507e-10 3.5757370000000003e-10 3.407809e-10 3.21505e-10 2.988819e-10 2.715e-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" [ 0.0328573 0.8386 1.77177 2.49618 3.04658 3.47256 3.80918 4.07985 4.30048 4.48216 4.63284 4.7584 4.86325 4.9508 5.02369 5.08406 5.13361 5.17374 5.20558 5.23011 5.24813 5.26032 5.26728 5.2695 5.26718 5.25985 5.24686 5.22745 5.20074 5.16477 5.1087 5.0028 4.80726 4.48909 4.02719 3.40691 2.61291 1.62461 0.415081 -1.04861 -2.80439 -4.89478 -7.39811 -10.8329 -16.2715 -24.5647 -36.2322 -51.6568 -71.2167 -95.7476 -131.424 -188.483 -300.886 -572.417 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.264319831632819e-21 1.3435853252723998e-19 2.83868849482218e-19 3.9993212702581195e-19 4.88115928961172e-19 5.56365449216304e-19 6.102979190700119e-19 6.5366403402249e-19 6.89012857098432e-19 7.18121202184944e-19 7.422627997060559e-19 7.623797295225599e-19 7.791785515300499e-19 7.9320560796072e-19 8.04883873445946e-19 8.14556213785404e-19 8.22494999006874e-19 8.289245338391159e-19 8.34025864241772e-19 8.379560035249739e-19 8.408431258194419e-19 8.42796179136288e-19 8.43911294073552e-19 8.442669772862999e-19 8.438952723072119e-19 8.427208768344899e-19 8.406396493869239e-19 8.375298245403299e-19 8.332504107509159e-19 8.274873813984179e-19 8.185039770115799e-19 8.015369264575199e-19 7.70207964556284e-19 7.19231510592306e-19 6.452269718678459e-19 5.458471596140939e-19 4.1863433487449396e-19 2.60291218136274e-19 6.650330794173539e-20 -1.68005844017874e-19 -4.49312813062326e-19 -7.8423021445705195e-19 -1.1853078977761738e-18 -1.73562192584586e-18 -2.6069817100130996e-18 -3.9356988361219796e-18 -5.805038423841479e-18 -8.276331794721119e-18 -1.141017326905878e-17 -1.534045674815784e-17 -2.10564461946816e-17 -3.01983058506222e-17 -4.82072518697724e-17 -9.17113142304378e-17 ] } }