{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.78036 6.326051 6.044488 5.839918 5.67915 5.546696 5.43406 5.336076 5.249368 5.171605 5.101114 5.03665 4.977264 4.922213 4.870907 4.822869 4.777707 4.735097 4.694765 4.656481 4.620046 4.585289 4.552064 4.52024 4.498575 4.475774 4.45171 4.426236 4.399175 4.370318 4.339409 4.306133 4.270097 4.230802 4.187599 4.139625 4.085692 4.024108 3.952339 3.866333 3.759009 3.61619 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.78036e-10 6.326050999999999e-10 6.044488e-10 5.839918e-10 5.67915e-10 5.546696e-10 5.43406e-10 5.336076e-10 5.249368e-10 5.171605e-10 5.101114e-10 5.03665e-10 4.977264e-10 4.922213000000001e-10 4.870907e-10 4.822869e-10 4.777707e-10 4.735097e-10 4.694765e-10 4.6564810000000006e-10 4.6200460000000003e-10 4.585289000000001e-10 4.5520639999999996e-10 4.5202400000000004e-10 4.498575e-10 4.4757740000000007e-10 4.4517100000000003e-10 4.4262360000000003e-10 4.399175e-10 4.3703180000000005e-10 4.339409e-10 4.306133e-10 4.270097e-10 4.230802e-10 4.187599e-10 4.139625e-10 4.085692e-10 4.024108e-10 3.952339e-10 3.866333e-10 3.759009e-10 3.6161900000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.24743 0.411192 0.556723 0.685112 0.799587 0.901958 0.993921 1.07675 1.15128 1.21785 1.27661 1.32785 1.37198 1.4096 1.44133 1.46776 1.48945 1.50695 1.52078 1.53144 1.53939 1.54487 1.54799 1.54887 1.54826 1.54639 1.54304 1.53785 1.5304 1.51999 1.50571 1.48639 1.46038 1.42534 1.37785 1.3127 1.22169 1.0909 0.895274 0.585449 0.0527167 -0.992455 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.96426561284544e-20 6.588022090599937e-20 8.919685748616384e-20 1.0976704290295297e-19 1.2810795976956097e-19 1.4450960205435266e-19 1.592436989122157e-19 1.7251436764464003e-19 1.8445538999946243e-19 1.9512107976412803e-19 2.045354695879488e-19 2.12745022592928e-19 2.198154280205184e-19 2.25842816467968e-19 2.3092652288576643e-19 2.351610756945408e-19 2.38636196785056e-19 2.4144000587145603e-19 2.436558161380224e-19 2.453637364157952e-19 2.466374668293312e-19 2.475154596175296e-19 2.480153387232192e-19 2.481563302658496e-19 2.480585974919808e-19 2.477589904638912e-19 2.4722226129592323e-19 2.46390731629728e-19 2.45197110047232e-19 2.435292441849792e-19 2.4124133597047683e-19 2.381459307390912e-19 2.339786693483904e-19 2.283646424691072e-19 2.20755905696928e-19 2.10317725012416e-19 1.957363155865152e-19 1.74781447563072e-19 1.4343870720100994e-19 9.379927004707392e-20 8.446146426572737e-21 -1.590088198196064e-19 ] } }