{ "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" [ "Pb" "Pb" ] } "a" { "source-value" [ 5.03887 4.701248 4.492003 4.339976 4.2205 4.122066 4.03836 3.965543 3.901105 3.843316 3.79093 3.743023 3.69889 3.657978 3.61985 3.58415 3.550588 3.518922 3.48895 3.460498 3.433421 3.407592 3.3829 3.35925 3.34315 3.326205 3.308321 3.28939 3.26928 3.247835 3.224864 3.200135 3.173355 3.144152 3.112046 3.076393 3.036313 2.990547 2.937211 2.873295 2.793537 2.6874 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.038870000000001e-10 4.701248e-10 4.4920030000000005e-10 4.339976e-10 4.2205000000000006e-10 4.122066e-10 4.03836e-10 3.965543e-10 3.901105e-10 3.8433160000000005e-10 3.79093e-10 3.743023e-10 3.69889e-10 3.657978e-10 3.61985e-10 3.5841500000000005e-10 3.550588e-10 3.518922e-10 3.48895e-10 3.460498e-10 3.433421e-10 3.407592e-10 3.3829e-10 3.35925e-10 3.34315e-10 3.326205e-10 3.308321e-10 3.28939e-10 3.26928e-10 3.2478349999999997e-10 3.2248640000000003e-10 3.200135e-10 3.173355e-10 3.144152e-10 3.112046e-10 3.076393e-10 3.036313e-10 2.990547e-10 2.9372110000000004e-10 2.8732950000000003e-10 2.793537e-10 2.6874e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.05444 1.36589 1.58789 1.73743 1.82957 1.89189 1.94267 1.98142 2.00471 2.0126 2.00259 1.95594 1.82401 1.54627 1.06199 0.317525 -0.72911 -2.10685 -3.83207 -5.90503 -8.2771 -10.9219 -13.7223 0.448859 -0.960552 -1.02927 -1.1059 -1.19261 -1.29127 -1.40411 -1.53397 -1.68444 -1.86028 -2.06835 -2.31773 -2.62069 -2.99503 -3.46771 -4.07825 -4.88383 -6.01657 -7.81238 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6893991160363522e-19 2.1883970245845124e-19 2.544080234402112e-19 2.7836697262765444e-19 2.931294280117056e-19 3.0311419271253123e-19 3.112500455929536e-19 3.174584799985536e-19 3.2118994934839687e-19 3.2245406670220803e-19 3.2085028790478723e-19 3.133761339687552e-19 2.9223861781054082e-19 2.4773976434444163e-19 1.701495549523392e-19 5.0873113151952005e-20 -1.1681629959914881e-19 -3.3755458135324805e-19 -6.139652963269056e-19 -9.460901011122625e-19 -1.3261376108023681e-18 -1.749881283471552e-18 -2.198554824360384e-18 7.191513958356672e-20 -1.5389739574626817e-19 -1.649072330490816e-19 -1.7718471249427202e-19 -1.9107718597322881e-19 -2.068842605140416e-19 -2.2496322150314883e-19 -2.4576908710085763e-19 -2.698770387140352e-19 -2.9804971241418243e-19 -3.3138620136316804e-19 -3.7134128193267844e-19 -4.1988082483643525e-19 -4.798567044594624e-19 -5.555883889714368e-19 -6.5340768037776e-19 -7.824758245961664e-19 -9.639607791406656e-19 -1.2516812588805506e-18 ] } }