{ "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" [ "Fm" "Fm" ] } "a" { "source-value" [ 5.51443 5.144943 4.915951 4.749575 4.618824 4.5111 4.419494 4.339804 4.269285 4.206041 4.148711 4.096283 4.047984 4.003212 3.961485 3.922416 3.885686 3.851032 3.81823 3.787094 3.757461 3.729194 3.702172 3.67629 3.650124 3.62316 3.595348 3.566632 3.536952 3.50624 3.474423 3.441418 3.407133 3.371464 3.334295 3.295494 3.254911 3.212376 3.167689 3.120623 3.070909 3.018232 2.962216 2.902408 2.838258 2.769086 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.51443e-10 5.144943e-10 4.915951e-10 4.749575e-10 4.618824e-10 4.5111e-10 4.419494e-10 4.339804e-10 4.2692850000000003e-10 4.206041e-10 4.1487109999999997e-10 4.096283e-10 4.047984e-10 4.0032120000000004e-10 3.961485e-10 3.9224160000000003e-10 3.8856860000000005e-10 3.8510320000000003e-10 3.81823e-10 3.7870940000000004e-10 3.757461e-10 3.729194e-10 3.7021720000000003e-10 3.67629e-10 3.650124e-10 3.62316e-10 3.5953480000000003e-10 3.5666319999999997e-10 3.536952e-10 3.50624e-10 3.474423e-10 3.441418e-10 3.407133e-10 3.371464e-10 3.334295e-10 3.2954940000000003e-10 3.254911e-10 3.212376e-10 3.1676890000000005e-10 3.120623e-10 3.070909e-10 3.018232e-10 2.9622160000000003e-10 2.902408e-10 2.8382580000000005e-10 2.7690860000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.857103 1.2828 1.65781 2.00124 2.32051 2.62021 2.90213 3.16717 3.41617 3.64963 3.86813 4.07148 4.25967 4.4331 4.5918 4.73545 4.8633 4.9751 5.07056 5.14936 5.21127 5.25614 5.28333 5.29248 5.28215 5.24771 5.18298 5.0799 4.92799 4.71393 4.4206 4.02568 3.49996 2.80435 1.88654 0.676694 -0.923351 -3.05028 -5.89707 -9.74199 -14.9959 -22.2786 -32.5506 -47.3418 -69.1755 -102.394 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.373230399531302e-19 2.0552721860951998e-19 2.6561044456115397e-19 3.20633996702616e-19 3.71786690096334e-19 4.19803923817314e-19 4.64972487483042e-19 5.074365769905779e-19 5.47330775177178e-19 5.84735190874542e-19 6.19742750327442e-19 6.523230121798319e-19 6.82474374255078e-19 7.102609236185399e-19 7.356874668001199e-19 7.5870273414753e-19 7.791865624132199e-19 7.9709889718133995e-19 8.12393275329504e-19 8.250184272054239e-19 8.349375027465179e-19 8.42126469303276e-19 8.46482787571122e-19 8.47948779191232e-19 8.462937307283099e-19 8.407758344008139e-19 8.304049450489319e-19 8.1388970830566e-19 7.89551043058566e-19 7.55254850031162e-19 7.0825820282604e-19 6.44985043196112e-19 5.60755413193464e-19 4.493064043557899e-19 3.02257030710636e-19 1.084183315167996e-19 -1.479371397180534e-19 -4.887087343157519e-19 -9.44814776306238e-19 -1.5608388746661658e-18 -2.40260805858006e-18 -3.56942523582324e-18 -5.21518107426804e-18 -7.58499257715012e-18 -1.10831369745267e-17 -1.64053274261796e-17 ] } }