{ "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" [ "Mg" "Mg" ] } "a" { "source-value" [ 5.325 4.968205 4.747078 4.586418 4.460158 4.356134 4.267675 4.190722 4.122625 4.061554 4.006193 3.955566 3.908927 3.865692 3.825398 3.787671 3.752204 3.718739 3.687065 3.656998 3.628383 3.601087 3.574993 3.55 3.532985 3.515078 3.49618 3.476173 3.454921 3.432258 3.407984 3.38185 3.353549 3.322688 3.288759 3.251082 3.208726 3.160361 3.103996 3.036451 2.952164 2.84 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.325000000000001e-10 4.968205e-10 4.747078e-10 4.5864180000000004e-10 4.460158e-10 4.356134e-10 4.267675e-10 4.190722e-10 4.1226250000000005e-10 4.061554e-10 4.006193e-10 3.9555660000000003e-10 3.908927e-10 3.8656920000000004e-10 3.825398e-10 3.7876710000000003e-10 3.752204e-10 3.718739e-10 3.6870650000000003e-10 3.6569980000000003e-10 3.628383e-10 3.601087e-10 3.5749930000000004e-10 3.55e-10 3.532985e-10 3.515078e-10 3.49618e-10 3.4761730000000005e-10 3.454921e-10 3.432258e-10 3.407984e-10 3.38185e-10 3.3535490000000005e-10 3.322688e-10 3.2887590000000004e-10 3.2510819999999997e-10 3.208726e-10 3.160361e-10 3.103996e-10 3.036451e-10 2.952164e-10 2.84e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.354397 0.510525 0.64248 0.755405 0.853138 0.938517 1.01364 1.08006 1.13896 1.19126 1.23767 1.27879 1.3151 1.347 1.37483 1.3989 1.41946 1.43674 1.45094 1.46224 1.4708 1.47676 1.48024 1.48138 1.48083 1.47901 1.47564 1.47035 1.46266 1.45196 1.43744 1.41801 1.39218 1.35786 1.31206 1.25032 1.16576 1.04724 0.875535 0.614626 0.188671 -0.593943 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.678065878816577e-20 8.179512193339201e-20 1.0293664353315841e-19 1.210292230235424e-19 1.3668777579160705e-19 1.5036699956233537e-19 1.6240303099077121e-19 1.730446881061248e-19 1.8248150840263681e-19 1.908608921294208e-19 1.982965938265536e-19 2.0488474409128323e-19 2.1070224740140801e-19 2.1581319082176e-19 2.2027204835744643e-19 2.24128487483712e-19 2.274225626160768e-19 2.301911238168192e-19 2.324662146183552e-19 2.342766741998592e-19 2.3564813738726403e-19 2.3660303465326085e-19 2.371605921172992e-19 2.373432402520704e-19 2.3725512053792643e-19 2.369635243929408e-19 2.3642359087173125e-19 2.35576039439328e-19 2.343439656179328e-19 2.326296366336768e-19 2.303032761802752e-19 2.271902470060608e-19 2.230518247945344e-19 2.1755315463194883e-19 2.102151857086848e-19 2.0032334725186562e-19 1.867753417463808e-19 1.677863444366592e-19 1.402761707692128e-19 9.847394077358209e-20 3.0228426522295685e-20 -9.516015886878144e-20 ] } }