{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.59226 3.351565 3.202392 3.09401 3.008835 2.93866 2.878985 2.827073 2.781135 2.739936 2.702589 2.668436 2.636973 2.607807 2.580624 2.555174 2.531247 2.508672 2.487304 2.467021 2.447717 2.429303 2.4117 2.39484 2.383362 2.371282 2.358532 2.345036 2.330699 2.315411 2.299035 2.281405 2.262313 2.241494 2.218605 2.193188 2.164614 2.131987 2.093963 2.048397 1.991536 1.91587 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.5922600000000003e-10 3.351565e-10 3.2023920000000003e-10 3.09401e-10 3.0088350000000003e-10 2.93866e-10 2.8789850000000005e-10 2.827073e-10 2.781135e-10 2.739936e-10 2.702589e-10 2.668436e-10 2.636973e-10 2.607807e-10 2.580624e-10 2.555174e-10 2.531247e-10 2.5086719999999997e-10 2.487304e-10 2.467021e-10 2.447717e-10 2.429303e-10 2.4117e-10 2.39484e-10 2.383362e-10 2.371282e-10 2.358532e-10 2.345036e-10 2.330699e-10 2.3154110000000002e-10 2.299035e-10 2.281405e-10 2.2623129999999998e-10 2.2414939999999999e-10 2.2186050000000003e-10 2.1931880000000003e-10 2.164614e-10 2.1319870000000002e-10 2.093963e-10 2.0483970000000002e-10 1.9915360000000002e-10 1.91587e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.06296 1.39913 1.65077 1.85432 2.0251 2.17139 2.29825 2.41006 2.68318 2.78224 2.86605 2.94006 3.00524 3.06239 3.11219 3.15519 3.19188 3.2227 3.248 3.26813 3.28336 3.29397 3.30018 3.3022 3.30122 3.29799 3.29199 3.28256 3.26887 3.24981 3.22544 3.19372 3.14844 3.08732 3.00562 2.89535 2.74407 2.53162 2.22309 1.75276 0.981603 -0.441993 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7030496748766398e-19 2.2416533939284196e-19 2.64482512210818e-19 2.9709481759588797e-19 3.2445679015134e-19 3.47895032130126e-19 3.6822024490904997e-19 3.86134181853804e-19 4.29892830081612e-19 4.45763991818016e-19 4.5919183418757e-19 4.710495434558039e-19 4.81492530756216e-19 4.90648970219526e-19 4.986278098568459e-19 5.05517169383046e-19 5.113955554531919e-19 5.1633346383918e-19 5.203869707232e-19 5.23612152287442e-19 5.260522673010239e-19 5.27752176709698e-19 5.28747128399412e-19 5.290707680794799e-19 5.289137547693479e-19 5.28396251716566e-19 5.27434945736166e-19 5.25924093170304e-19 5.23730713358358e-19 5.20676964693954e-19 5.16772460236896e-19 5.11690355953848e-19 5.04435700155096e-19 4.94643196568088e-19 4.81553413468308e-19 4.6388621172519e-19 4.396484836060379e-19 4.05610241016708e-19 3.56178285327906e-19 2.80823111700984e-19 1.572701390464302e-19 -7.08150856991562e-20 ] } }