{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 5.89701 5.501889 5.257008 5.079089 4.939267 4.824069 4.726107 4.640889 4.565476 4.497845 4.436538 4.380472 4.328822 4.280943 4.236322 4.194542 4.155264 4.118205 4.083128 4.049831 4.018143 3.987915 3.959018 3.93134 3.912498 3.892667 3.871738 3.849583 3.826048 3.80095 3.774068 3.745127 3.713786 3.67961 3.642036 3.600311 3.553405 3.499845 3.437425 3.362624 3.269283 3.14507 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.89701e-10 5.501889e-10 5.257008e-10 5.079089e-10 4.939267000000001e-10 4.824069e-10 4.726107e-10 4.6408889999999996e-10 4.5654760000000005e-10 4.497845e-10 4.436538e-10 4.3804720000000004e-10 4.328822e-10 4.280943e-10 4.2363220000000004e-10 4.1945420000000003e-10 4.155264e-10 4.118205e-10 4.083128e-10 4.0498310000000004e-10 4.0181430000000006e-10 3.9879150000000004e-10 3.959018e-10 3.93134e-10 3.912498e-10 3.892667e-10 3.8717380000000004e-10 3.849583e-10 3.8260480000000003e-10 3.80095e-10 3.7740680000000006e-10 3.745127e-10 3.713786e-10 3.67961e-10 3.642036e-10 3.6003110000000004e-10 3.5534050000000004e-10 3.499845e-10 3.437425e-10 3.3626239999999997e-10 3.269283e-10 3.14507e-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" [ 0.350618 1.14769 2.32447 3.27722 4.03488 4.62308 5.05026 5.3455 5.54605 5.67517 5.7598 5.82291 5.88012 5.93937 6.00246 6.067 6.13022 6.1941 6.2567 6.31364 6.36106 6.39624 6.41818 6.42591 6.42183 6.40787 6.38121 6.33852 6.27598 6.18904 6.0724 5.92219 5.74657 5.54202 5.29867 5.00037 4.62115 4.11245 3.3801 2.27553 0.56498 -2.29288 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.617519624316544e-20 1.8388020859259522e-19 3.724211489750976e-19 5.250685265218176e-19 6.464590403733505e-19 7.406990692088064e-19 8.091408500961408e-19 8.564435126486401e-19 8.88575164778784e-19 9.092624693065535e-19 9.22821690048384e-19 9.329330267022529e-19 9.420990791498496e-19 9.515919756280896e-19 9.617001079287168e-19 9.7204055583936e-19 9.821695164360577e-19 9.924042206897281e-19 1.002433846335936e-18 1.0115566400147714e-18 1.0191541615506049e-18 1.0247906189025793e-18 1.0283057944086146e-18 1.0295442769364928e-18 1.0288905888752064e-18 1.0266539503125696e-18 1.022382547441517e-18 1.0155428554473217e-18 1.0055228428608383e-18 9.915935193196033e-19 9.729057312145921e-19 9.488394361935553e-19 9.207020103790657e-19 8.879294876006016e-19 8.489405195334337e-19 8.011475909349696e-19 7.40389849120992e-19 6.58887124420896e-19 5.415517195966081e-19 3.6458009659290237e-19 9.051977472195841e-20 -3.673598730299904e-19 ] } }