{ "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" [ "Sn" "Sn" "Sn" "Sn" ] } "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" [ 2.56916 3.83884 4.96239 5.99059 6.94587 7.83955 8.68193 9.47466 10.2194 10.9193 11.5737 12.1828 12.747 13.2667 13.7403 14.1673 14.5471 14.88 15.1639 15.3979 15.5812 15.7133 15.7947 15.8221 15.7912 15.6878 15.4929 15.1822 14.7248 14.0811 13.2002 12.017 10.4418 8.35773 5.6089 1.98227 -2.81386 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.11624812100744e-19 6.150499749664559e-19 7.950625306795259e-19 9.59798332187406e-19 1.112851061680158e-18 1.2560343831074699e-18 1.3909985384023618e-18 1.5180078867094439e-18 1.63732838934996e-18 1.74946473196362e-18 1.8543111708925798e-18 1.9518997496695198e-18 2.0422945553598e-18 2.1255596750287797e-18 2.2014387604150197e-18 2.2698517026868198e-18 2.33070237124614e-18 2.384038831392e-18 2.4295246260312598e-18 2.46701555926686e-18 2.49638345696808e-18 2.51754821030322e-18 2.53058992810398e-18 2.53497989208114e-18 2.5300291662820798e-18 2.5134626598865197e-18 2.4822362372898598e-18 2.43245660927148e-18 2.35917305003232e-18 2.2560409401017396e-18 2.11490520041268e-18 1.9253356610778e-18 1.67296079769012e-18 1.3390559719280819e-18 8.986448522442599e-19 3.17594667627918e-19 -4.50830074334724e-19 ] } }