{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.64278 5.264692 5.030369 4.86012 4.726325 4.616093 4.522355 4.44081 4.368649 4.303933 4.245269 4.19162 4.142197 4.096382 4.053684 4.013705 3.976121 3.94066 3.907095 3.875233 3.844911 3.815986 3.788335 3.76185 3.74382 3.724844 3.704818 3.683618 3.661097 3.637082 3.611359 3.583665 3.553675 3.520973 3.485019 3.445094 3.40021 3.348959 3.289231 3.217655 3.128337 3.00948 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.64278e-10 5.264692e-10 5.030369000000001e-10 4.860120000000001e-10 4.726325e-10 4.6160930000000006e-10 4.5223550000000005e-10 4.44081e-10 4.368649e-10 4.303933e-10 4.245269000000001e-10 4.1916200000000005e-10 4.1421970000000005e-10 4.0963820000000004e-10 4.0536839999999997e-10 4.013705e-10 3.9761210000000003e-10 3.94066e-10 3.9070950000000004e-10 3.8752330000000004e-10 3.844911e-10 3.815986e-10 3.788335e-10 3.7618500000000003e-10 3.74382e-10 3.724844e-10 3.704818e-10 3.683618e-10 3.661097e-10 3.637082e-10 3.6113590000000004e-10 3.583665e-10 3.553675e-10 3.520973e-10 3.485019e-10 3.445094e-10 3.40021e-10 3.348959e-10 3.289231e-10 3.2176550000000003e-10 3.1283370000000004e-10 3.00948e-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" [ 1.66094 1.86642 1.95352 2.0826 2.25999 2.43793 2.62991 2.83547 3.03623 3.21351 3.3568 3.46461 3.54159 3.59668 3.64089 3.68437 3.73432 3.79342 3.8583 3.91991 3.97105 4.0082 4.03023 4.03742 4.03398 4.02278 4.00249 3.97197 3.93065 3.8791 3.82002 3.75927 3.7042 3.6598 3.62108 3.56994 3.47817 3.29672 2.93767 2.28746 1.24388 -0.431479 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6611192365515525e-19 2.990334488593536e-19 3.129884072265216e-19 3.33669303047808e-19 3.6209031412417923e-19 3.9059944491469446e-19 4.2135803168081286e-19 4.542923742979776e-19 4.864576721371585e-19 5.148610592707008e-19 5.37818648070144e-19 5.550917142189888e-19 5.674252698459072e-19 5.762516608498945e-19 5.833348836904512e-19 5.903011476376897e-19 5.983040198585856e-19 6.077728836875136e-19 6.18167805603264e-19 6.280388157640128e-19 6.362323470027841e-19 6.421844331490561e-19 6.457140282446785e-19 6.468659932350336e-19 6.463148444774783e-19 6.445204066621824e-19 6.412695902985792e-19 6.363797472518976e-19 6.297595534547521e-19 6.215003329745281e-19 6.120346734988417e-19 6.023014505274816e-19 5.93478263876736e-19 5.863645996803841e-19 5.801609718046465e-19 5.719674405658752e-19 5.572642657167936e-19 5.281927709323777e-19 4.706666193625536e-19 3.664914933015168e-19 1.9929154550807043e-19 -6.913055661661633e-20 ] } }