{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 9.06503 8.457639 8.081202 7.807701 7.592762 7.415676 7.265087 7.134087 7.018161 6.914196 6.819953 6.733768 6.65437 6.580769 6.512176 6.447951 6.387572 6.330604 6.276683 6.225498 6.176786 6.130318 6.085897 6.04335 6.014385 5.983901 5.951729 5.917671 5.881493 5.842912 5.801588 5.757099 5.708921 5.656386 5.598626 5.534486 5.462381 5.380047 5.284095 5.169109 5.025622 4.83468 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.06503e-10 8.457639000000001e-10 8.081202e-10 7.807701e-10 7.592762e-10 7.415676e-10 7.265087e-10 7.134087e-10 7.018161000000001e-10 6.914196e-10 6.819953e-10 6.733768e-10 6.65437e-10 6.580769e-10 6.512176e-10 6.447951e-10 6.387572e-10 6.330604e-10 6.276683e-10 6.225498e-10 6.176786e-10 6.130318000000001e-10 6.085897000000001e-10 6.043350000000001e-10 6.014385e-10 5.983901000000001e-10 5.951729e-10 5.917671e-10 5.881493e-10 5.842912e-10 5.801588e-10 5.757099e-10 5.708921e-10 5.656386000000001e-10 5.598626000000001e-10 5.534486000000001e-10 5.462381e-10 5.380047000000001e-10 5.284095e-10 5.169109e-10 5.025622e-10 4.83468e-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" [ 0.251901 0.477547 0.746796 1.04258 1.32136 1.57198 1.79765 2.01653 2.23278 2.44028 2.63021 2.7915 2.92102 3.02271 3.10208 3.16431 3.21339 3.25128 3.27967 3.30059 3.31574 3.3261 3.33212 3.33407 3.33313 3.33001 3.32419 3.315 3.30155 3.28261 3.2563 3.21979 3.16912 3.09875 3.00084 2.86475 2.67482 2.4055 2.01415 1.41002 0.392279 -1.5722 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.035898962812339e-20 7.651146450367979e-20 1.196499101564664e-19 1.67039731507572e-19 2.11705211710224e-19 2.51858962511532e-19 2.8801528261101e-19 3.2308372477600194e-19 3.57730794486252e-19 3.9097595964175196e-19 4.2140610045131396e-19 4.472476073811e-19 4.67998999144668e-19 4.842915333358139e-19 4.970080092798719e-19 5.06978354473254e-19 5.14841837392926e-19 5.20912484659152e-19 5.254610641230779e-19 5.28812817641406e-19 5.31240115241916e-19 5.3289997023474e-19 5.33864480568408e-19 5.34176905012038e-19 5.34026300408442e-19 5.3352642129863395e-19 5.3259395449764595e-19 5.31121554171e-19 5.2896662659827e-19 5.25932104053474e-19 5.2171677732942e-19 5.15867230438686e-19 5.077490014342079e-19 4.964744844607499e-19 4.80787573037256e-19 4.589835512251499e-19 4.2855341041558795e-19 3.8540358930869997e-19 3.2270240673710996e-19 2.25910109747268e-19 6.28500247808886e-20 -2.5189421039748e-19 ] } }