{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Re" "Re" ] } "a" { "source-value" [ 4.98611 4.652022 4.444967 4.294531 4.176306 4.078902 3.996072 3.924017 3.860254 3.803069 3.751232 3.703826 3.660155 3.619671 3.581942 3.546616 3.513405 3.482071 3.452412 3.424258 3.397465 3.371906 3.347472 3.32407 3.308138 3.291371 3.273675 3.254942 3.235043 3.213822 3.191093 3.166622 3.140123 3.111226 3.079456 3.044177 3.004517 2.95923 2.906453 2.843207 2.764285 2.65926 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.98611e-10 4.652022e-10 4.4449670000000005e-10 4.294531e-10 4.176306e-10 4.0789020000000004e-10 3.996072e-10 3.9240170000000003e-10 3.860254e-10 3.803069e-10 3.751232e-10 3.703826e-10 3.660155e-10 3.619671e-10 3.5819420000000003e-10 3.5466160000000004e-10 3.513405e-10 3.482071e-10 3.452412e-10 3.4242580000000003e-10 3.397465e-10 3.3719060000000004e-10 3.347472e-10 3.32407e-10 3.308138e-10 3.291371e-10 3.273675e-10 3.2549419999999997e-10 3.2350430000000005e-10 3.213822e-10 3.1910930000000003e-10 3.166622e-10 3.140123e-10 3.111226e-10 3.079456e-10 3.044177e-10 3.004517e-10 2.9592299999999997e-10 2.9064530000000003e-10 2.843207e-10 2.7642850000000003e-10 2.6592600000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 5.72182 8.56369 11.0672 13.3599 15.4913 17.492 19.3741 21.1435 22.8057 24.3643 25.823 27.1805 28.4368 29.5947 30.6541 31.6131 32.4667 33.213 33.8503 34.3764 34.7897 35.0892 35.2708 35.3319 35.3011 35.1977 35.0015 34.6855 34.2128 33.5336 32.5778 31.2474 29.4008 26.8277 23.2063 18.0209 10.4114 -1.14593 -19.599 -51.218 -111.513 -248.849 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.167366232425856e-19 1.3720543905778752e-18 1.773160909771776e-18 2.140491943622592e-18 2.4819798685799044e-18 2.8025273451033602e-18 3.104073006904128e-18 3.38756213818848e-18 3.653875936097857e-18 3.903591184215744e-18 4.13730068789184e-18 4.35479616416544e-18 4.556077613036545e-18 4.7415936439589766e-18 4.911328235166528e-18 5.064976973101248e-18 5.2017387694527366e-18 5.3213092106630404e-18 5.423415926706624e-18 5.507706438726912e-18 5.573924398464577e-18 5.621909588257536e-18 5.651005115691264e-18 5.660794414844352e-18 5.655859710852288e-18 5.639293204593216e-18 5.60785849929312e-18 5.55722971807584e-18 5.481494829210625e-18 5.372674993125888e-18 5.219538951709825e-18 5.006385374078592e-18 4.7105274392816644e-18 4.2982713729836164e-18 3.718059131527104e-18 2.8872664665774724e-18 1.6680901669797123e-18 -1.835982255073344e-19 -3.1401059591059203e-18 -8.206028216413441e-18 -1.786635215152704e-17 -3.9870004990945923e-17 ] } }