{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.45328 5.08789 4.861436 4.696905 4.567604 4.461074 4.370483 4.291677 4.22194 4.159397 4.102703 4.050856 4.003093 3.958817 3.917553 3.878917 3.842595 3.808324 3.775887 3.745095 3.715791 3.687838 3.661115 3.63552 3.618096 3.599757 3.580403 3.559915 3.538151 3.514943 3.490083 3.46332 3.434337 3.402734 3.367987 3.329403 3.286026 3.236496 3.178774 3.109603 3.023285 2.90842 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.453280000000001e-10 5.087889999999999e-10 4.861436e-10 4.696905e-10 4.5676040000000006e-10 4.461074e-10 4.3704830000000003e-10 4.291677e-10 4.22194e-10 4.159397e-10 4.102703e-10 4.050856e-10 4.0030929999999997e-10 3.958817e-10 3.917553e-10 3.878917e-10 3.842595e-10 3.808324e-10 3.7758870000000004e-10 3.7450950000000003e-10 3.715791e-10 3.687838e-10 3.661115e-10 3.63552e-10 3.618096e-10 3.599757e-10 3.5804030000000003e-10 3.5599150000000004e-10 3.538151e-10 3.514943e-10 3.490083e-10 3.46332e-10 3.434337e-10 3.402734e-10 3.367987e-10 3.3294030000000003e-10 3.2860260000000004e-10 3.236496e-10 3.1787740000000004e-10 3.109603e-10 3.023285e-10 2.90842e-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" [ 0.0215532 1.00447 1.87782 2.16522 2.21412 2.25741 2.35203 2.4901 2.65028 2.81177 2.959 3.08348 3.18324 3.26075 3.32052 3.36726 3.40504 3.43668 3.46344 3.48556 3.50287 3.51515 3.52238 3.52472 3.52361 3.52001 3.51346 3.50341 3.48914 3.46967 3.44365 3.40911 3.36325 3.30212 3.22043 3.1116 2.96857 2.78689 2.57417 2.60837 4.23293 12.8564 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.4532033143426564e-21 1.609338350294976e-19 3.008599302070656e-19 3.4690648628885763e-19 3.547411299645696e-19 3.6167695255601287e-19 3.768367477420224e-19 3.98958000345408e-19 4.246216654573824e-19 4.504952157066816e-19 4.7408406209472e-19 4.9402795667043845e-19 5.100112706395393e-19 5.2242974162736e-19 5.320059512898816e-19 5.394945248155008e-19 5.455475480888833e-19 5.506168349170944e-19 5.549042595543552e-19 5.584482742395649e-19 5.612216419701696e-19 5.631891148605121e-19 5.643474885573505e-19 5.647223978866176e-19 5.645445562817088e-19 5.639677726982209e-19 5.629183470115968e-19 5.613081595076928e-19 5.590218534698112e-19 5.559024155891136e-19 5.51733552021792e-19 5.461996339735489e-19 5.3885205199056e-19 5.290579463076096e-19 5.159697654922944e-19 4.985332773281281e-19 4.756173451208257e-19 4.465090002741312e-19 4.1242749919647364e-19 4.179069432396096e-19 6.781901483482944e-19 2.059822350765312e-18 ] } }