{ "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" [ 5.36131 5.002083 4.779449 4.617693 4.490572 4.385839 4.296777 4.2193 4.150739 4.089251 4.033513 3.982541 3.935583 3.892054 3.851486 3.813502 3.777792 3.7441 3.712209 3.681937 3.653127 3.625645 3.599373 3.57421 3.557079 3.53905 3.520023 3.49988 3.478483 3.455666 3.431225 3.404914 3.37642 3.345349 3.311188 3.273254 3.230609 3.181915 3.125166 3.05716 2.972298 2.85937 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.36131e-10 5.002083e-10 4.779449e-10 4.6176930000000003e-10 4.4905720000000004e-10 4.385839e-10 4.296777e-10 4.2192999999999996e-10 4.150739e-10 4.089251e-10 4.033513e-10 3.982541e-10 3.935583e-10 3.892054e-10 3.8514860000000003e-10 3.8135020000000004e-10 3.777792e-10 3.7441e-10 3.712209e-10 3.6819370000000004e-10 3.6531270000000004e-10 3.625645e-10 3.599373e-10 3.57421e-10 3.557079e-10 3.5390500000000003e-10 3.5200230000000003e-10 3.4998800000000003e-10 3.478483e-10 3.455666e-10 3.431225e-10 3.404914e-10 3.37642e-10 3.3453490000000004e-10 3.311188e-10 3.2732540000000003e-10 3.230609e-10 3.1819150000000003e-10 3.125166e-10 3.05716e-10 2.972298e-10 2.85937e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.355029 0.527195 0.665311 0.781324 0.881093 0.968093 1.04461 1.11227 1.17227 1.22553 1.2728 1.31467 1.35163 1.38409 1.41242 1.43691 1.45783 1.47541 1.48985 1.50134 1.51004 1.5161 1.51965 1.5208 1.52024 1.5184 1.51497 1.50959 1.50178 1.49091 1.47616 1.45642 1.43019 1.39534 1.34883 1.28615 1.20031 1.08003 0.905808 0.641143 0.209221 -0.582704 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.68819168192386e-20 8.4465951056163e-20 1.0659457385431739e-19 1.2518190563834159e-19 1.411666616980962e-19 1.551055984138962e-19 1.67364973364274e-19 1.78205300469918e-19 1.8781836027391797e-19 1.9635155302660199e-19 2.0392504197551998e-19 2.10633355542078e-19 2.16555000381342e-19 2.2175566573530597e-19 2.2629463213942796e-19 2.30218362716094e-19 2.3357011623442197e-19 2.3638674275699403e-19 2.3870028581648995e-19 2.4054118676895596e-19 2.4193508044053597e-19 2.4290599948074e-19 2.4347477218581e-19 2.4365902249871995e-19 2.43569300607216e-19 2.4327450010656e-19 2.4272495352109796e-19 2.41862982492006e-19 2.40611682540852e-19 2.38870116539694e-19 2.36506906004544e-19 2.33344209329028e-19 2.29141700018046e-19 2.23558114448556e-19 2.1610639092382198e-19 2.0606394778190997e-19 1.9231086355565397e-19 1.73039883001902e-19 1.4512644124902717e-19 1.0272243336526619e-19 3.35208997542114e-20 -9.33594733338336e-20 ] } }