{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.30045 4.012305 3.833724 3.703975 3.602008 3.517999 3.44656 3.384414 3.329419 3.280098 3.235389 3.194503 3.156837 3.121921 3.08938 3.058912 3.030268 3.003243 2.977663 2.953381 2.930272 2.908227 2.887154 2.86697 2.846565 2.825537 2.803847 2.781453 2.758306 2.734356 2.709543 2.683804 2.657066 2.62925 2.600263 2.570004 2.538356 2.505184 2.470335 2.43363 2.394861 2.35378 2.310096 2.263454 2.213427 2.159483 2.100956 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30045e-10 4.0123049999999997e-10 3.8337240000000003e-10 3.703975e-10 3.602008e-10 3.5179990000000004e-10 3.44656e-10 3.384414e-10 3.3294190000000003e-10 3.2800980000000003e-10 3.235389e-10 3.194503e-10 3.156837e-10 3.121921e-10 3.08938e-10 3.058912e-10 3.030268e-10 3.003243e-10 2.977663e-10 2.953381e-10 2.930272e-10 2.908227e-10 2.8871540000000005e-10 2.86697e-10 2.846565e-10 2.825537e-10 2.803847e-10 2.781453e-10 2.758306e-10 2.7343560000000003e-10 2.709543e-10 2.683804e-10 2.657066e-10 2.62925e-10 2.600263e-10 2.570004e-10 2.538356e-10 2.505184e-10 2.470335e-10 2.43363e-10 2.394861e-10 2.35378e-10 2.3100960000000001e-10 2.263454e-10 2.213427e-10 2.159483e-10 2.1009560000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.21813 1.92067 2.31147 2.74481 3.02081 3.19626 3.32423 3.4294 3.52176 3.60371 3.67709 3.7431 3.8008 3.84958 3.88953 3.92138 3.94629 3.96537 3.97962 3.98988 3.99691 4.00136 4.00377 4.00454 4.0037 4.00097 3.99596 3.98889 3.98159 3.97706 3.97734 3.97794 3.9617 3.90065 3.76241 3.51172 3.10326 2.46849 1.4974 0.00723511 -2.31085 -6.01234 -12.2531 -23.5388 -44.5657 -84.6221 -162.999 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9516594231744198e-19 3.07725259562478e-19 3.7033832241919797e-19 4.39767044676954e-19 4.83987119775354e-19 5.12097308818884e-19 5.326003632041819e-19 5.494504548639599e-19 5.64248158255584e-19 5.773779957712139e-19 5.89134767911506e-19 5.9971073587254e-19 6.0895529505072e-19 6.16770712671372e-19 6.23171408324202e-19 6.282743409034919e-19 6.322653628987859e-19 6.35322315916458e-19 6.37605417619908e-19 6.39249250846392e-19 6.40375581020094e-19 6.41088549622224e-19 6.41474674191018e-19 6.415980417918361e-19 6.4146345895458e-19 6.410260647334979e-19 6.40223374239864e-19 6.39090635359626e-19 6.3792104641680595e-19 6.371952604016039e-19 6.372401213473559e-19 6.373362519453959e-19 6.347343170917799e-19 6.2495302874121e-19 6.028045389527939e-19 5.626395729150479e-19 4.97197066122684e-19 3.95495699926266e-19 2.3990992917516e-19 1.159192418641974e-21 -3.7023898746788997e-19 -9.63283066366356e-19 -1.96316305140654e-18 -3.77133153523992e-18 -7.14021232178538e-18 -1.355795513400114e-17 -2.6115318916536596e-17 ] } }