{ "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" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.15314 3.874864 3.7024 3.577096 3.478622 3.39749 3.328498 3.26848 3.215369 3.167738 3.12456 3.085074 3.048698 3.014978 2.983552 2.954128 2.926465 2.900365 2.875661 2.852211 2.829893 2.808604 2.788253 2.76876 2.75549 2.741523 2.726784 2.71118 2.694605 2.67693 2.657997 2.637615 2.615542 2.591473 2.56501 2.535625 2.50259 2.464869 2.420909 2.368228 2.30249 2.21501 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.1531399999999997e-10 3.874864e-10 3.7024e-10 3.5770960000000003e-10 3.478622e-10 3.39749e-10 3.3284980000000003e-10 3.26848e-10 3.215369e-10 3.167738e-10 3.12456e-10 3.085074e-10 3.048698e-10 3.014978e-10 2.983552e-10 2.954128e-10 2.926465e-10 2.900365e-10 2.875661e-10 2.852211e-10 2.829893e-10 2.8086039999999997e-10 2.788253e-10 2.76876e-10 2.75549e-10 2.741523e-10 2.726784e-10 2.71118e-10 2.694605e-10 2.67693e-10 2.657997e-10 2.637615e-10 2.6155420000000004e-10 2.5914730000000005e-10 2.56501e-10 2.535625e-10 2.50259e-10 2.4648690000000004e-10 2.420909e-10 2.3682280000000003e-10 2.3024900000000002e-10 2.21501e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.36512 1.95523 2.36115 2.65818 2.89349 3.09459 3.27449 3.43843 3.58688 3.71905 3.83463 3.93399 4.01824 4.08909 4.14832 4.19753 4.23813 4.27131 4.29805 4.3191 4.33495 4.34599 4.35248 4.3546 4.35356 4.35011 4.34366 4.33343 4.31842 4.29729 4.26822 4.22877 4.17549 4.10348 4.00558 3.87077 3.68137 3.40796 2.99835 2.25829 0.814405 -2.02612 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1871633666060797e-19 3.13262382009582e-19 3.7829793593690995e-19 4.25887388496612e-19 4.63588206871266e-19 4.95807978981006e-19 5.246311366266659e-19 5.50897220364462e-19 5.74681532496192e-19 5.9585750106777e-19 6.14375458603542e-19 6.30294685638966e-19 6.437930237804159e-19 6.551444452323059e-19 6.64634137435488e-19 6.72518448651402e-19 6.790232857854419e-19 6.8433930785705395e-19 6.886235281763699e-19 6.919961099909399e-19 6.9453555995583e-19 6.963043629597659e-19 6.973441755952319e-19 6.976838370416399e-19 6.97517210671704e-19 6.9696445973297395e-19 6.959310558040439e-19 6.942920291074619e-19 6.918871619798279e-19 6.88501762752186e-19 6.83844235277148e-19 6.77523648456018e-19 6.689872513500659e-19 6.57449977408632e-19 6.41764668161772e-19 6.20165724958818e-19 5.898204995108579e-19 5.46015388160664e-19 4.803886310553899e-19 3.61817947079586e-19 1.30482066161277e-19 -3.24620212168008e-19 ] } }