{ "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 9.73368 9.081487 8.677285 8.38361 8.152817 7.962669 7.800973 7.66031 7.535834 7.4242 7.323006 7.230463 7.14521 7.06618 6.992526 6.923565 6.858732 6.797562 6.739664 6.684703 6.632398 6.582503 6.534805 6.48912 6.442934 6.39534 6.346247 6.29556 6.243171 6.188961 6.132801 6.074542 6.014024 5.951064 5.885456 5.816968 5.745335 5.670254 5.591377 5.5083 5.420549 5.327567 5.228691 5.123123 5.009891 4.887794 4.755325 4.610557 4.450971 4.273183 4.072501 3.842144 3.571788 3.24456 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.73368e-10 9.081486999999999e-10 8.677285e-10 8.383609999999999e-10 8.152817000000001e-10 7.962669e-10 7.800973e-10 7.66031e-10 7.535834e-10 7.4242e-10 7.323006e-10 7.230463000000001e-10 7.14521e-10 7.066180000000001e-10 6.992526e-10 6.923565e-10 6.858732e-10 6.797562000000001e-10 6.739664000000001e-10 6.684703e-10 6.632398e-10 6.582503000000001e-10 6.534805000000001e-10 6.48912e-10 6.442934e-10 6.39534e-10 6.346247e-10 6.29556e-10 6.243171000000001e-10 6.188961e-10 6.132801e-10 6.074542e-10 6.014024000000001e-10 5.951064e-10 5.885455999999999e-10 5.816968000000001e-10 5.745335e-10 5.670254e-10 5.591377e-10 5.5083e-10 5.420549e-10 5.327567e-10 5.228691000000001e-10 5.123123e-10 5.009891e-10 4.887794000000001e-10 4.755325e-10 4.6105570000000003e-10 4.450971e-10 4.2731830000000006e-10 4.072501e-10 3.842144e-10 3.5717880000000003e-10 3.24456e-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" [ 0.879481 1.25307 1.53913 1.7722 1.96813 2.13591 2.28124 2.40808 2.51929 2.61701 2.70294 2.77842 2.84454 2.90222 2.95221 2.99516 3.03164 3.06212 3.08704 3.10677 3.12164 3.13194 3.13795 3.1399 3.13781 3.13105 3.11882 3.10016 3.07393 3.03878 2.99308 2.93487 2.86177 2.77089 2.65867 2.52073 2.35159 2.14441 1.89048 1.57868 1.19458 0.719278 0.127615 -0.614411 -1.55361 -2.75579 -4.3157 -6.37366 -9.14448 -12.9706 -18.4249 -26.5277 -39.2462 -60.8056 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.409083908246954e-19 2.0076394747663798e-19 2.46595812268842e-19 2.8393774307747997e-19 3.15329189867442e-19 3.42210509432694e-19 3.6549494245461595e-19 3.8581695088027196e-19 4.0363475722698596e-19 4.19291227294434e-19 4.3305873111039595e-19 4.451519603438279e-19 4.557455522478359e-19 4.6498690707274795e-19 4.72996188066114e-19 4.798775367091439e-19 4.85722277069976e-19 4.90605711450408e-19 4.94598335622336e-19 4.977594301212179e-19 5.00141866775976e-19 5.01792108708996e-19 5.027550168660299e-19 5.030674413096599e-19 5.027325863931539e-19 5.0164951498857e-19 4.996900529651879e-19 4.967003913661439e-19 4.92497882055162e-19 4.868662311866519e-19 4.795442839692719e-19 4.70218013782758e-19 4.58506102588218e-19 4.43945521338426e-19 4.2596589515167796e-19 4.0386547066228197e-19 3.7676625507480595e-19 3.43572359571594e-19 3.0288828830443196e-19 2.52932420856312e-19 1.9139281634437199e-19 1.1524104049502518e-19 2.0446177114791e-20 -9.84394947872574e-20 -2.4891576403487396e-19 -4.41526234621086e-19 -6.914513699353799e-19 -1.0211729125060439e-18 -1.4651072186080319e-18 -2.0781192248960397e-18 -2.95199442637866e-18 -4.250206109376179e-18 -6.28793446132908e-18 -9.742131153635039e-18 ] } }