{ "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" [ 5.73484 5.350585 5.112439 4.939414 4.803437 4.691407 4.596139 4.513265 4.439926 4.374155 4.314534 4.26001 4.209781 4.163218 4.119824 4.079193 4.040996 4.004956 3.970844 3.938463 3.907646 3.878249 3.850147 3.82323 3.796019 3.767977 3.739053 3.70919 3.678323 3.646384 3.613296 3.578972 3.543316 3.506222 3.467567 3.427216 3.385011 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.73484e-10 5.350584999999999e-10 5.112439e-10 4.939414000000001e-10 4.803437e-10 4.691407e-10 4.5961390000000003e-10 4.513265e-10 4.439926e-10 4.3741550000000004e-10 4.3145340000000004e-10 4.2600100000000004e-10 4.2097810000000004e-10 4.1632179999999997e-10 4.1198240000000005e-10 4.079193e-10 4.040996e-10 4.004956e-10 3.970844e-10 3.938463e-10 3.907646e-10 3.878249e-10 3.8501470000000005e-10 3.82323e-10 3.796019e-10 3.767977e-10 3.7390530000000006e-10 3.70919e-10 3.6783229999999997e-10 3.646384e-10 3.613296e-10 3.578972e-10 3.543316e-10 3.5062220000000006e-10 3.467567e-10 3.427216e-10 3.385011e-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" [ 2.07741 3.10407 4.01256 4.84396 5.61639 6.33902 7.02016 7.66115 8.26331 8.82926 9.35846 9.85097 10.3071 10.7273 11.1103 11.4556 11.7627 12.0319 12.2614 12.4507 12.5988 12.7057 12.7715 12.7936 12.7686 12.6851 12.5274 12.2762 11.9064 11.3859 10.6736 9.7169 8.44315 6.75801 4.53532 1.60285 -2.27527 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.32837776123794e-19 4.97326842430038e-19 6.428829874523039e-19 7.760879528030639e-19 8.99844882543126e-19 1.0156229726458679e-18 1.1247536318941438e-18 1.2274515519569099e-18 1.323928220149854e-18 1.414603406751084e-18 1.4993905942223638e-18 1.5782993956234979e-18 1.65137947843014e-18 1.7187029405908198e-18 1.78006630567302e-18 1.83538946484504e-18 1.88459230927518e-18 1.9277229042624597e-18 1.96449285801276e-18 1.9948220616943797e-18 2.0185502976439198e-18 2.03567756586138e-18 2.0462198881130997e-18 2.04976069847424e-18 2.0457552568892396e-18 2.03237708199534e-18 2.0071107564771597e-18 1.96686407943108e-18 1.9076155875057598e-18 1.82422229370606e-18 1.71009925206624e-18 1.55681901349146e-18 1.3527417647357098e-18 1.0827525714338338e-18 7.266383731712879e-19 2.5680488178069e-19 -3.6453844300411796e-19 ] } }