{ "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" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.78457 6.329979 6.048242 5.843545 5.682678 5.550142 5.437436 5.339392 5.252629 5.174819 5.104284 5.03978 4.980357 4.925272 4.873934 4.825866 4.780677 4.73804 4.697684 4.659375 4.622918 4.58814 4.554893 4.52305 4.501372 4.478556 4.454477 4.428987 4.40191 4.373036 4.342107 4.30881 4.272752 4.233433 4.190203 4.142199 4.088233 4.026611 3.954797 3.868738 3.761348 3.61844 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.78457e-10 6.329979e-10 6.048242000000001e-10 5.843545e-10 5.682678000000001e-10 5.550142e-10 5.437436e-10 5.339392000000001e-10 5.252629e-10 5.174819e-10 5.104284e-10 5.03978e-10 4.980356999999999e-10 4.925272e-10 4.873934000000001e-10 4.825866e-10 4.780677e-10 4.73804e-10 4.697684e-10 4.659375e-10 4.6229180000000007e-10 4.58814e-10 4.554893e-10 4.5230499999999997e-10 4.501372e-10 4.4785560000000004e-10 4.454477e-10 4.4289870000000004e-10 4.40191e-10 4.373036e-10 4.3421070000000006e-10 4.30881e-10 4.2727519999999997e-10 4.233433e-10 4.1902030000000006e-10 4.142199e-10 4.088233e-10 4.026611e-10 3.954797e-10 3.868738e-10 3.761348e-10 3.6184400000000005e-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" [ 0.635052 0.651405 0.73195 0.828971 0.90214 0.953337 0.998067 1.04381 1.09033 1.13593 1.17944 1.22102 1.26251 1.30483 1.34832 1.39163 1.43133 1.46442 1.489 1.50478 1.51377 1.51831 1.52037 1.521 1.5207 1.51971 1.51781 1.51462 1.50961 1.50214 1.49137 1.47628 1.45544 1.42701 1.38839 1.33546 1.26263 1.16128 1.01627 0.797825 0.43731 -0.18285 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0174654757749679e-19 1.0436658702707699e-19 1.1727131872563e-19 1.328157966463614e-19 1.44538762859676e-19 1.527414265727658e-19 1.599079626566478e-19 1.6723679923355398e-19 1.74690124934922e-19 1.81996050385962e-19 1.88967120920496e-19 1.95628971364668e-19 2.0227640221913398e-19 2.0905681373422198e-19 2.1602467991548797e-19 2.2296370691734197e-19 2.29324348154322e-19 2.34625950636228e-19 2.385641008026e-19 2.4109233553105197e-19 2.42532692325018e-19 2.43260080516854e-19 2.4359012890345796e-19 2.4369106603139996e-19 2.4364300073237997e-19 2.43484385245614e-19 2.43179971685154e-19 2.42668877338908e-19 2.41866186845274e-19 2.40669360899676e-19 2.38943816664858e-19 2.36526132124152e-19 2.33187196018896e-19 2.28632207848434e-19 2.2244460168792596e-19 2.13964280764164e-19 2.0229562833874197e-19 1.86057568153152e-19 1.62824404783518e-19 1.27825657302105e-19 7.006478638145399e-20 -2.929579975269e-20 ] } }