{ "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" [ 5.44266 5.077982 4.851969 4.687758 4.558709 4.452386 4.361972 4.28332 4.213718 4.151297 4.094713 4.042968 3.995297 3.951107 3.909923 3.871363 3.835111 3.800908 3.768533 3.737802 3.708555 3.680656 3.653985 3.62844 3.602615 3.576002 3.548552 3.52021 3.490916 3.460604 3.429201 3.396626 3.362787 3.327582 3.290897 3.252601 3.212547 3.170565 3.12646 3.080007 3.03094 2.978949 2.923662 2.864633 2.801318 2.733046 2.658975 2.578027 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44266e-10 5.077982000000001e-10 4.851969000000001e-10 4.687758e-10 4.5587090000000003e-10 4.4523859999999997e-10 4.361972e-10 4.28332e-10 4.213718e-10 4.1512969999999995e-10 4.094713e-10 4.042968e-10 3.995297e-10 3.951107e-10 3.909923e-10 3.8713630000000003e-10 3.835111e-10 3.800908e-10 3.768533e-10 3.737802e-10 3.708555e-10 3.680656e-10 3.6539850000000004e-10 3.62844e-10 3.602615e-10 3.576002e-10 3.548552e-10 3.52021e-10 3.490916e-10 3.460604e-10 3.429201e-10 3.396626e-10 3.362787e-10 3.327582e-10 3.290897e-10 3.252601e-10 3.212547e-10 3.170565e-10 3.1264599999999997e-10 3.0800070000000004e-10 3.03094e-10 2.978949e-10 2.923662e-10 2.8646330000000003e-10 2.8013180000000005e-10 2.733046e-10 2.658975e-10 2.578027e-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" [ 0.0163696 0.151862 0.539443 1.12816 1.73032 2.23986 2.64612 2.96826 3.22556 3.43232 3.59888 3.73307 3.84099 3.92747 3.99638 4.05081 4.09327 4.12582 4.15022 4.168 4.18055 4.18907 4.19407 4.19571 4.19393 4.18816 4.17762 4.1614 4.13836 4.10704 4.06562 4.01168 3.94202 3.85229 3.7366 3.587 3.39292 3.14044 2.81143 2.38222 1.82171 1.08865 0.128021 -1.13393 -2.79901 -5.02121 -8.06614 -12.4133 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.62269906279264e-21 2.4330974799250796e-20 8.642829699748619e-20 1.80751159141344e-19 2.77227827334288e-19 3.5886513554312403e-19 4.2395516347600793e-19 4.75567681563684e-19 5.16791686356504e-19 5.49918290441088e-19 5.766041444569919e-19 5.98103752708638e-19 6.15394442942766e-19 6.292500664735979e-19 6.40290665658492e-19 6.49011313077354e-19 6.55814155065318e-19 6.61029240008988e-19 6.64938550995948e-19 6.677872210511999e-19 6.6979795272687e-19 6.711630072190379e-19 6.719640955360379e-19 6.722268525040139e-19 6.719416650631619e-19 6.710172091453439e-19 6.69328514973108e-19 6.6672978447276e-19 6.630383695080239e-19 6.580203522903359e-19 6.51384136672308e-19 6.42741995908512e-19 6.315812334760679e-19 6.172049025391859e-19 5.9866932106044e-19 5.747007586158e-19 5.43605714503128e-19 5.031539588478959e-19 4.50440745412662e-19 3.8167372210474793e-19 2.9187011959241397e-19 1.7442095926040998e-19 2.0511225486131397e-20 -1.81675615059162e-19 -4.48450842033234e-19 -8.04486533640714e-19 -1.292338103457276e-18 -1.98882992108322e-18 ] } }