{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.29051 4.00303 3.824861 3.695412 3.593681 3.509866 3.438592 3.376589 3.321721 3.272514 3.227909 3.187117 3.149538 3.114702 3.082237 3.051839 3.023261 2.996298 2.970777 2.946551 2.923496 2.901502 2.880478 2.86034 2.839982 2.819003 2.797363 2.775021 2.751928 2.728033 2.703278 2.677598 2.650923 2.62317 2.594251 2.564062 2.532487 2.499392 2.464624 2.428004 2.389324 2.348339 2.304755 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2905100000000004e-10 4.00303e-10 3.824861e-10 3.695412e-10 3.5936810000000004e-10 3.5098660000000005e-10 3.438592e-10 3.376589e-10 3.3217210000000005e-10 3.272514e-10 3.227909e-10 3.1871170000000005e-10 3.149538e-10 3.1147019999999997e-10 3.0822370000000004e-10 3.0518390000000003e-10 3.0232610000000003e-10 2.996298e-10 2.970777e-10 2.946551e-10 2.923496e-10 2.901502e-10 2.880478e-10 2.86034e-10 2.839982e-10 2.819003e-10 2.797363e-10 2.775021e-10 2.751928e-10 2.728033e-10 2.703278e-10 2.677598e-10 2.650923e-10 2.62317e-10 2.594251e-10 2.564062e-10 2.5324870000000003e-10 2.4993919999999997e-10 2.4646240000000004e-10 2.428004e-10 2.389324e-10 2.348339e-10 2.3047550000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ -3.88091 -4.98783 -3.14862 0.819283 2.7246 3.15232 3.19816 3.25276 3.33794 3.43219 3.53621 3.64983 3.76537 3.87399 3.97019 4.05207 4.11991 4.17478 4.21801 4.25077 4.27404 4.28935 4.29806 4.30094 4.29772 4.28705 4.267 4.23492 4.18737 4.12063 4.03154 3.91807 3.77967 3.61766 3.43261 3.22296 2.99221 2.76608 2.65199 2.92378 4.10799 6.91835 12.0989 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -6.2179033206569395e-19 -7.991384680364219e-19 -5.04464539334508e-19 1.312636079233422e-19 4.3652904569964e-19 5.05057344689088e-19 5.12401722379344e-19 5.211496068009839e-19 5.34796947369396e-19 5.49897462144846e-19 5.66563303491714e-19 5.84767234407222e-19 6.03278783236458e-19 6.206816258349659e-19 6.36094565054046e-19 6.492131873332379e-19 6.60082353618294e-19 6.6887349680905195e-19 6.757997063978339e-19 6.81048437050818e-19 6.84776702078136e-19 6.872296345047899e-19 6.88625130353004e-19 6.89086557223596e-19 6.88570656347448e-19 6.868611338789699e-19 6.836487697278001e-19 6.785089870859279e-19 6.708906371912579e-19 6.60197710335942e-19 6.459239187036359e-19 6.27744020437638e-19 6.05569895823078e-19 5.796130321756439e-19 5.49964753563474e-19 5.163751204316639e-19 4.79404894602114e-19 4.43174874377472e-19 4.24895641160166e-19 4.68441199895652e-19 6.58172559070566e-19 1.10844187158339e-18 1.9384574877102598e-18 ] } }