{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.35098 4.992445 4.770239 4.608794 4.481918 4.377387 4.288496 4.211168 4.142739 4.08137 4.025739 3.974865 3.927998 3.884552 3.844062 3.806151 3.77051 3.736883 3.705053 3.67484 3.646085 3.618656 3.592435 3.56732 3.54193 3.515765 3.488777 3.460913 3.432112 3.402311 3.371437 3.339411 3.306142 3.27153 3.235463 3.197812 3.158433 3.117158 3.073796 3.028125 2.979885 2.928769 2.874414 2.816379 2.754131 2.687009 2.614186 2.534601 2.446871 2.349134 2.238811 2.112175 1.96355 1.78366 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.35098e-10 4.992445e-10 4.770239000000001e-10 4.608794e-10 4.4819180000000004e-10 4.377387e-10 4.2884960000000005e-10 4.211168e-10 4.142739e-10 4.0813699999999997e-10 4.025739e-10 3.974865e-10 3.927998e-10 3.884552e-10 3.844062e-10 3.806151e-10 3.77051e-10 3.7368830000000006e-10 3.705053e-10 3.6748400000000004e-10 3.646085e-10 3.618656e-10 3.592435e-10 3.5673200000000004e-10 3.5419299999999997e-10 3.515765e-10 3.488777e-10 3.4609130000000004e-10 3.432112e-10 3.402311e-10 3.371437e-10 3.3394110000000003e-10 3.306142e-10 3.27153e-10 3.2354630000000005e-10 3.197812e-10 3.1584330000000004e-10 3.117158e-10 3.0737960000000006e-10 3.0281250000000003e-10 2.979885e-10 2.928769e-10 2.8744139999999997e-10 2.816379e-10 2.7541310000000004e-10 2.6870090000000004e-10 2.6141860000000003e-10 2.534601e-10 2.4468709999999996e-10 2.349134e-10 2.2388110000000002e-10 2.1121750000000003e-10 1.96355e-10 1.7836600000000002e-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 1.9416 2.3191 2.60393 2.84288 3.04755 3.22503 3.38005 3.51599 3.63535 3.74005 3.83162 3.9113 3.98011 4.03891 4.08843 4.12931 4.16208 4.18722 4.20517 4.2163 4.22095 4.22096 4.22547 4.21826 4.198 4.16731 4.12577 4.0714 4.00182 3.91412 3.80479 3.66951 3.50297 3.2986 3.04815 2.74129 2.36483 1.90188 1.33049 0.621854 -0.262428 -1.37421 -2.78491 -4.59455 -6.94661 -10.052 -14.2306 -19.9841 -28.1351 -40.1028 -58.5022 -88.5788 -142.131 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 3.1107861525744e-19 3.7156078319094e-19 4.17195580257162e-19 4.55479590926592e-19 4.8827134009467e-19 5.16706770994902e-19 5.4154371317517e-19 5.63323702337766e-19 5.8244728264119e-19 5.9922207199917e-19 6.138932034367079e-19 6.2665934685642e-19 6.376839242749739e-19 6.471047228828939e-19 6.550387015744619e-19 6.61588399654254e-19 6.668387324838719e-19 6.70866604541748e-19 6.737425115997779e-19 6.7552573419342e-19 6.7627074632823e-19 6.762723485048639e-19 6.769949301667979e-19 6.75839760813684e-19 6.725937509532e-19 6.6767667086345385e-19 6.610212291258179e-19 6.523101947667599e-19 6.41162249747388e-19 6.27111160667208e-19 6.09594563527686e-19 5.879203180229339e-19 5.61237668360298e-19 5.284939844912399e-19 4.8836747069271e-19 4.39203078501786e-19 3.78887536938222e-19 3.04714769667192e-19 2.1316799897706597e-19 9.96319948559436e-20 -4.2045600970735195e-20 -2.2017271522091395e-19 -4.46191772979294e-19 -7.361280653744699e-19 -1.1129696227510739e-18 -1.6105079524967998e-18 -2.27999348078004e-18 -3.20180580715194e-18 -4.50773998152534e-18 -6.42517691179752e-18 -9.373085787759479e-18 -1.419188836277592e-17 -2.2771896716705398e-17 ] } }