{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Ti" ] } "a" { "source-value" [ 4.12973 3.853022 3.68153 3.556931 3.459012 3.378338 3.309734 3.250055 3.197243 3.14988 3.106945 3.067682 3.031511 2.997981 2.966732 2.937473 2.909967 2.884014 2.859449 2.836131 2.813939 2.79277 2.772533 2.75315 2.739955 2.726067 2.71141 2.695895 2.679413 2.661837 2.643011 2.622744 2.600795 2.576862 2.550548 2.521328 2.48848 2.450971 2.407258 2.354875 2.289507 2.20252 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.1297300000000005e-10 3.8530220000000003e-10 3.68153e-10 3.556931e-10 3.4590120000000004e-10 3.378338e-10 3.3097340000000005e-10 3.250055e-10 3.197243e-10 3.14988e-10 3.1069450000000003e-10 3.067682e-10 3.031511e-10 2.997981e-10 2.966732e-10 2.937473e-10 2.909967e-10 2.8840140000000004e-10 2.859449e-10 2.836131e-10 2.813939e-10 2.79277e-10 2.772533e-10 2.7531500000000005e-10 2.7399550000000005e-10 2.7260670000000004e-10 2.71141e-10 2.6958950000000004e-10 2.679413e-10 2.661837e-10 2.643011e-10 2.622744e-10 2.6007950000000004e-10 2.5768620000000005e-10 2.550548e-10 2.521328e-10 2.48848e-10 2.450971e-10 2.407258e-10 2.354875e-10 2.289507e-10 2.2025199999999998e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.14555 2.63878 2.98017 3.24068 3.44725 3.61919 3.76347 3.88603 3.99097 4.08129 4.15924 4.22655 4.28461 4.33454 4.37725 4.41349 4.44393 4.46909 4.48945 4.50541 4.51733 4.52552 4.53026 4.53179 4.53106 4.52867 4.52426 4.51742 4.50756 4.494 4.47579 4.45171 4.42011 4.3787 4.32426 4.25209 4.1551 4.02199 3.83383 3.55606 3.11843 2.35176 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.4375500770787e-19 4.2277916582665197e-19 4.77475873934778e-19 5.19214177427112e-19 5.5231034015565e-19 5.798581652006459e-19 6.02974369675998e-19 6.22610646502302e-19 6.39423888099498e-19 6.53894747457786e-19 6.663837143198159e-19 6.771679652432699e-19 6.864702027802739e-19 6.944698707138359e-19 7.0131276711764995e-19 7.07119055239266e-19 7.119960809131619e-19 7.160271573243058e-19 7.192891889511299e-19 7.21846262858994e-19 7.23756057406722e-19 7.25068240069968e-19 7.25827671794484e-19 7.26072804819486e-19 7.25955845925204e-19 7.255729257096779e-19 7.248663658140839e-19 7.23770476996428e-19 7.22190730835304e-19 7.200181793195999e-19 7.171006156690859e-19 7.13242574334414e-19 7.08179696170974e-19 7.0154508272958e-19 6.928228331340839e-19 6.812599243665059e-19 6.6572041319334e-19 6.443938400181659e-19 6.142472844728219e-19 5.697436241102039e-19 4.996275680764619e-19 3.76793492077584e-19 ] } }