{ "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" [ "U" "U" "U" "U" "U" "U" "U" "U" ] } "a" { "source-value" [ 13.0756 12.199487 11.656507 11.262004 10.951972 10.69654 10.479327 10.29037 10.123157 9.973196 9.837258 9.712942 9.598418 9.492254 9.393313 9.300674 9.213583 9.131411 9.053634 8.979804 8.90954 8.842514 8.778441 8.71707 8.67529 8.631319 8.584913 8.535788 8.483604 8.427955 8.368348 8.304176 8.234683 8.158905 8.075591 7.983074 7.879068 7.760308 7.621905 7.456047 7.249079 6.97366 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.30756e-09 1.2199487e-09 1.1656507e-09 1.1262004e-09 1.0951972e-09 1.0696540000000002e-09 1.0479327e-09 1.029037e-09 1.0123157000000002e-09 9.973196000000001e-10 9.837258e-10 9.712942e-10 9.598418e-10 9.492254e-10 9.393313e-10 9.300674000000001e-10 9.213583e-10 9.131411000000001e-10 9.053634000000001e-10 8.979804e-10 8.90954e-10 8.842514e-10 8.778441000000001e-10 8.71707e-10 8.675290000000001e-10 8.631319e-10 8.584913000000001e-10 8.535788000000001e-10 8.483604e-10 8.427955000000001e-10 8.368348e-10 8.304176000000001e-10 8.234683e-10 8.158905000000001e-10 8.075591e-10 7.983074e-10 7.879068e-10 7.760308e-10 7.621905e-10 7.456047e-10 7.249079e-10 6.97366e-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" [ 0.369063 0.553204 0.715041 0.863369 1.00201 1.13189 1.25441 1.36958 1.47776 1.57917 1.67404 1.76255 1.84445 1.91972 1.98858 2.05092 2.10638 2.15485 2.1962 2.2303 2.257 2.27616 2.28795 2.29194 2.28993 2.28318 2.27033 2.24959 2.21868 2.17427 2.11179 2.02487 1.90425 1.73622 1.49971 1.1613 0.664618 -0.0898889 -1.29411 -3.3577 -7.29063 -16.2473 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.913041102023103e-20 8.863305153330433e-20 1.145621973113453e-19 1.3832696269234753e-19 1.6053969958078082e-19 1.8134876953173122e-19 2.0097863748977283e-19 2.194309056315264e-19 2.367632523153408e-19 2.5301092542687363e-19 2.6821077502840323e-19 2.82391640299104e-19 2.95513466823456e-19 3.075730502482176e-19 3.186056384590464e-19 3.285936075131136e-19 3.3747927905207043e-19 3.4524502913308803e-19 3.5187002946009606e-19 3.5733345173702407e-19 3.6161126331456005e-19 3.646810337200128e-19 3.66569999955936e-19 3.672092684276352e-19 3.668872309268544e-19 3.6580576170781446e-19 3.637469647500864e-19 3.604240504385472e-19 3.554717225036544e-19 3.483564561306816e-19 3.383460566039232e-19 3.244199374159296e-19 3.0509448301584003e-19 2.7817310925653764e-19 2.402800299979968e-19 1.86060770973504e-19 1.0648354213628545e-19 -1.4401789404942913e-20 -2.0733927867434883e-19 -5.37962843966016e-19 -1.1680876936903105e-18 -2.603104421112384e-18 ] } }