{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 5.21187 4.862655 4.646226 4.488979 4.365401 4.263588 4.177008 4.10169 4.03504 3.975266 3.921082 3.87153 3.825881 3.783565 3.744127 3.707202 3.672488 3.639735 3.608733 3.579305 3.551298 3.524582 3.499042 3.47458 3.44985 3.424366 3.398079 3.370939 3.342887 3.313861 3.28379 3.252596 3.220191 3.18648 3.15135 3.114678 3.076322 3.036121 2.993886 2.949403 2.902417 2.85263 2.799687 2.743161 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.21187e-10 4.862655e-10 4.6462260000000005e-10 4.4889789999999997e-10 4.3654010000000006e-10 4.2635880000000005e-10 4.177008e-10 4.10169e-10 4.0350400000000004e-10 3.975266e-10 3.9210820000000005e-10 3.8715300000000003e-10 3.825881e-10 3.783565e-10 3.7441270000000004e-10 3.707202e-10 3.6724880000000003e-10 3.639735e-10 3.6087330000000003e-10 3.5793050000000003e-10 3.5512980000000003e-10 3.5245820000000004e-10 3.4990420000000005e-10 3.47458e-10 3.44985e-10 3.424366e-10 3.3980790000000004e-10 3.370939e-10 3.3428870000000004e-10 3.3138610000000003e-10 3.2837900000000005e-10 3.252596e-10 3.220191e-10 3.18648e-10 3.15135e-10 3.1146780000000003e-10 3.076322e-10 3.036121e-10 2.993886e-10 2.949403e-10 2.902417e-10 2.8526300000000003e-10 2.799687e-10 2.7431610000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.81806 0.774978 0.669691 0.642241 1.88503 3.02714 4.00723 4.83521 5.53347 6.12439 6.62691 7.05615 7.42394 7.73937 8.00947 8.2396 8.43396 8.59583 8.72786 8.83224 8.91085 8.96534 8.99714 9.00753 8.99657 8.96103 8.89658 8.79809 8.65933 8.47273 8.22889 7.91605 7.51933 7.01971 6.39256 5.606 4.61835 3.37519 1.80513 -0.185248 -2.71911 -5.95999 -10.1286 -15.53 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.31067661721004e-19 1.241651643464052e-19 1.0729632722000939e-19 1.0289835235967939e-19 3.02015102038902e-19 4.850012975846759e-19 6.420290273063819e-19 7.74686048248314e-19 8.86559633893998e-19 9.81235455550326e-19 1.061748035762094e-18 1.13051986559991e-18 1.1894463200217959e-18 1.239983777588058e-18 1.283258568472398e-18 1.3201294593506399e-18 1.351269364409064e-18 1.3772037975836218e-18 1.398357335682324e-18 1.415080855388016e-18 1.4276755659078899e-18 1.4364058263865559e-18 1.4415007480826759e-18 1.4431654096054017e-18 1.441409424014538e-18 1.4357152882573017e-18 1.425389259851172e-18 1.409609422182906e-18 1.387377619209522e-18 1.3574810032190819e-18 1.318413528175626e-18 1.26829103435757e-18 1.2047294829335219e-18 1.1246815339456139e-18 1.0242010263443038e-18 8.981802210204e-19 7.399412457633901e-19 5.407650553310459e-19 2.8921371073324194e-19 -2.96800017095232e-20 -4.35649450727574e-19 -9.54895671687366e-19 -1.6227806255132399e-18 -2.4881803126019996e-18 ] } }