{ "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" [ 5.688191635060032e-20 8.44659503602656e-20 1.0659457297610688e-19 1.2518190460699392e-19 1.4116666053505346e-19 1.5510559713601344e-19 1.673649719853888e-19 1.7820529900172163e-19 1.878183587265216e-19 1.9635155140890242e-19 2.03925040295424e-19 2.1063335380671362e-19 2.1655499859719043e-19 2.2175566390830724e-19 2.262946302750336e-19 2.302183608193728e-19 2.335701143100864e-19 2.3638674080945284e-19 2.38700283849888e-19 2.405411847871872e-19 2.419350784472832e-19 2.4290599747948804e-19 2.43474770179872e-19 2.43659020491264e-19 2.435692986004992e-19 2.43274498102272e-19 2.427249515213376e-19 2.418629804993472e-19 2.406116805585024e-19 2.388701145716928e-19 2.365069040560128e-19 2.333442074065536e-19 2.2914169813019523e-19 2.2355811260670724e-19 2.161063891433664e-19 2.06063946084192e-19 1.923108619712448e-19 1.7303988157626243e-19 1.4512644005336063e-19 1.0272243251895745e-19 3.352089947803968e-20 -9.335947256466432e-20 ] } }