{ "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" [ 4.28296 3.995987 3.818132 3.688911 3.587359 3.503692 3.432543 3.370649 3.315878 3.266758 3.222231 3.181511 3.143998 3.109224 3.076816 3.046471 3.017944 2.991029 2.965553 2.941369 2.918354 2.8964 2.875412 2.85531 2.841625 2.827222 2.812022 2.79593 2.778837 2.760609 2.741085 2.720065 2.697302 2.672481 2.645191 2.614887 2.58082 2.541919 2.496585 2.442258 2.374464 2.28425 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2829600000000003e-10 3.995987e-10 3.818132e-10 3.688911e-10 3.5873590000000003e-10 3.503692e-10 3.432543e-10 3.370649e-10 3.315878e-10 3.266758e-10 3.222231e-10 3.181511e-10 3.143998e-10 3.1092240000000004e-10 3.076816e-10 3.046471e-10 3.017944e-10 2.9910290000000003e-10 2.965553e-10 2.941369e-10 2.918354e-10 2.8964e-10 2.875412e-10 2.85531e-10 2.841625e-10 2.827222e-10 2.812022e-10 2.79593e-10 2.7788369999999997e-10 2.760609e-10 2.741085e-10 2.720065e-10 2.697302e-10 2.672481e-10 2.645191e-10 2.614887e-10 2.58082e-10 2.541919e-10 2.4965850000000003e-10 2.442258e-10 2.3744640000000003e-10 2.2842500000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.80184 1.33091 1.76623 2.15044 2.4602 2.7051 2.89905 3.0571 3.19282 3.31426 3.42404 3.52245 3.60964 3.68606 3.75245 3.80982 3.85905 3.90094 3.93597 3.96434 3.98608 4.00129 4.01014 4.01298 4.01163 4.00725 3.99924 3.98695 3.96949 3.94575 3.91426 3.87318 3.82001 3.75144 3.66297 3.54547 3.38081 3.13861 2.767 2.19238 1.2672 -0.651975 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.284689301622272e-19 2.1323528863889281e-19 2.829812412955584e-19 3.4453846924331523e-19 3.94167492249216e-19 4.33404797692608e-19 4.64479013253024e-19 4.898014147447681e-19 5.115461558422657e-19 5.310029887252609e-19 5.485916836684032e-19 5.643587037936961e-19 5.7832808175045125e-19 5.905719154866048e-19 6.012087660720961e-19 6.104004533456257e-19 6.18287968849824e-19 6.2499948671435525e-19 6.306119114170177e-19 6.351572864902273e-19 6.386404184638464e-19 6.410773291040832e-19 6.424952554134912e-19 6.429502735737984e-19 6.4273397972999045e-19 6.420322263700801e-19 6.407488828968192e-19 6.387798078298561e-19 6.359824074499392e-19 6.3217884015216e-19 6.271335859732608e-19 6.205518444150144e-19 6.120330713222209e-19 6.010469462333952e-19 5.868724896691776e-19 5.680469143747776e-19 5.416654741366848e-19 5.028607563809088e-19 4.4332227097536e-19 3.5125799799095044e-19 2.0302782138777602e-19 -1.04457910234608e-19 ] } }