{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.00033 7.464278 7.132054 6.890676 6.700981 6.544695 6.411792 6.296178 6.193869 6.102114 6.01894 5.942877 5.872805 5.807849 5.747312 5.69063 5.637343 5.587066 5.539478 5.494305 5.451314 5.410303 5.3711 5.33355 5.307987 5.281083 5.25269 5.222632 5.190703 5.156654 5.120183 5.08092 5.0384 4.992035 4.941059 4.884453 4.820816 4.748153 4.66347 4.56199 4.435356 4.26684 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.00033e-10 7.464278e-10 7.132054e-10 6.890676e-10 6.700981e-10 6.544695000000001e-10 6.411792e-10 6.296178000000001e-10 6.193869e-10 6.102114e-10 6.01894e-10 5.942877e-10 5.872805e-10 5.807849e-10 5.747312e-10 5.69063e-10 5.637343000000001e-10 5.587066e-10 5.539478000000001e-10 5.494305e-10 5.451314e-10 5.410303e-10 5.3711e-10 5.33355e-10 5.307987e-10 5.281083e-10 5.252690000000001e-10 5.222632e-10 5.190703e-10 5.156654e-10 5.120183e-10 5.08092e-10 5.0384e-10 4.992035e-10 4.941059e-10 4.884453e-10 4.820815999999999e-10 4.748153000000001e-10 4.66347e-10 4.56199e-10 4.435356e-10 4.2668400000000005e-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" [ 1.44501 1.7451 1.91928 2.04088 2.1436 2.23735 2.32111 2.39069 2.44517 2.48519 2.51262 2.5297 2.53965 2.54568 2.54996 2.5537 2.55747 2.56157 2.56573 2.56959 2.57288 2.57543 2.5771 2.57773 2.57737 2.57607 2.57347 2.56909 2.56226 2.54223 2.46662 2.26907 1.86505 1.18883 0.165359 -1.30973 -3.38644 -6.28906 -10.3714 -16.2308 -24.9856 -39.0736 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.315161238822208e-19 2.7959584209580803e-19 3.0750255447690244e-19 3.2698502218583043e-19 3.4344258043468803e-19 3.5846298625468803e-19 3.7188281763050884e-19 3.8303076255803527e-19 3.9175942078815363e-19 3.981713316245952e-19 4.025661020954496e-19 4.0530261976377603e-19 4.06896785501472e-19 4.0786289800381443e-19 4.085486295975168e-19 4.0914784365369604e-19 4.097518642397376e-19 4.1040875665426564e-19 4.110752621285184e-19 4.116937023041472e-19 4.1222081841239044e-19 4.126293734506944e-19 4.1289693694636807e-19 4.129978740734784e-19 4.1294019571512964e-19 4.1273191275442563e-19 4.123153468330176e-19 4.116135934731072e-19 4.1051930684110087e-19 4.0731014706963843e-19 3.951960896397696e-19 3.6354509049586563e-19 2.9881395066230404e-19 1.9047156321056642e-19 2.6493432383886724e-20 -2.0984187855603842e-19 -5.425674995741952e-19 -1.007618489880845e-18 -1.661681460496512e-18 -2.600460829688064e-18 -4.003134417666049e-18 -6.260280841049088e-18 ] } }