{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.41324 8.782517 8.391621 8.107614 7.884418 7.700531 7.544157 7.408125 7.287746 7.179788 7.081924 6.992428 6.909981 6.833553 6.762324 6.695633 6.632935 6.573779 6.517786 6.464635 6.414051 6.365799 6.319671 6.27549 6.230825 6.184797 6.137321 6.088302 6.037638 5.985213 5.9309 5.87456 5.816034 5.755147 5.691699 5.625465 5.55619 5.483581 5.407301 5.326958 5.242096 5.152175 5.056554 4.954461 4.844957 4.726879 4.598771 4.458769 4.304436 4.132501 3.938426 3.715652 3.454195 3.13774 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.41324e-10 8.782517000000001e-10 8.391621000000001e-10 8.107614e-10 7.884418000000001e-10 7.700531e-10 7.544157e-10 7.408125e-10 7.287746000000001e-10 7.179788000000001e-10 7.081924000000001e-10 6.992428e-10 6.909981e-10 6.833553000000001e-10 6.762324e-10 6.695633e-10 6.632935e-10 6.573779e-10 6.517786000000001e-10 6.464635e-10 6.414051e-10 6.365799000000001e-10 6.319670999999999e-10 6.27549e-10 6.230825000000001e-10 6.184797e-10 6.137321000000001e-10 6.088302e-10 6.037638000000001e-10 5.985213e-10 5.930900000000001e-10 5.87456e-10 5.816034e-10 5.755147000000001e-10 5.691699e-10 5.625465e-10 5.55619e-10 5.483581000000001e-10 5.407301000000001e-10 5.326958e-10 5.242096000000001e-10 5.152175e-10 5.056554000000001e-10 4.954461000000001e-10 4.844957e-10 4.726879e-10 4.598771e-10 4.4587690000000006e-10 4.304436e-10 4.132501000000001e-10 3.9384260000000006e-10 3.715652e-10 3.454195e-10 3.1377400000000003e-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" [ 0.795537 1.16368 1.44918 1.68892 1.90589 2.09513 2.26176 2.4093 2.54035 2.65684 2.76032 2.85202 2.93296 3.00396 3.06667 3.12288 3.17112 3.21183 3.24544 3.27229 3.29271 3.30699 3.31538 3.31813 3.31515 3.30925 3.29633 3.27439 3.24162 3.19586 3.13444 3.0541 2.9508 2.81952 2.65399 2.44626 2.18623 1.87275 1.48353 0.99353 0.374061 -0.402968 -1.39554 -2.68052 -4.36418 -6.59422 -9.60608 -13.7395 -19.6154 -28.221 -41.4364 -62.9848 -100.972 -176.542 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.274590792882458e-19 1.86442090545312e-19 2.3218423344601197e-19 2.7059481606952796e-19 3.05357242497426e-19 3.35676833119242e-19 3.62373902371584e-19 3.8601241642962e-19 4.0700894121819e-19 4.2567269682765594e-19 4.42252020636288e-19 4.56943980370068e-19 4.69911998045664e-19 4.81287452147064e-19 4.913347018188779e-19 5.003405366785919e-19 5.08069436761008e-19 5.14591897838022e-19 5.199768135048959e-19 5.242786577671859e-19 5.27550302453814e-19 5.29838210687166e-19 5.31182436883092e-19 5.316230354574419e-19 5.3114558682051e-19 5.302003026064499e-19 5.28130290395322e-19 5.246151148603259e-19 5.19364782030708e-19 5.12033221753524e-19 5.02192652867496e-19 4.8932076578994e-19 4.7277028116072e-19 4.51736906309568e-19 4.2521607648696594e-19 3.91934061268884e-19 3.50272662254982e-19 3.0004762913234996e-19 2.3768771018380197e-19 1.5918105511780199e-19 5.993117938906739e-20 -6.45625913849712e-20 -2.23590157981236e-19 -4.29466651096968e-19 -6.99218722257012e-19 -1.056510520345548e-18 -1.539063692033472e-18 -2.2013105862843e-18 -3.14273355465636e-18 -4.5215026788114e-18 -6.638843187707759e-18 -1.009127748571632e-17 -1.6177497908824797e-17 -2.8285146731962796e-17 ] } }