{ "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" [ "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 5.95663 5.557514 5.310159 5.130441 4.989205 4.872843 4.773891 4.687811 4.611637 4.543321 4.481394 4.424762 4.37259 4.324227 4.279154 4.236953 4.197278 4.159844 4.124413 4.090779 4.05877 4.028236 3.999048 3.97109 3.942826 3.9137 3.883657 3.852639 3.820578 3.787404 3.753036 3.717384 3.680349 3.64182 3.60167 3.559758 3.515921 3.469975 3.421705 3.370864 3.317164 3.260263 3.199754 3.135151 3.065857 2.991138 2.910072 2.821479 2.723819 2.615019 2.492209 2.351239 2.185791 1.98554 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.95663e-10 5.557514e-10 5.310159e-10 5.130441000000001e-10 4.989205e-10 4.872843e-10 4.773891e-10 4.687811e-10 4.6116370000000003e-10 4.5433209999999997e-10 4.481394e-10 4.4247620000000004e-10 4.37259e-10 4.3242269999999997e-10 4.2791540000000004e-10 4.236953e-10 4.197278e-10 4.159844e-10 4.124413e-10 4.0907790000000005e-10 4.05877e-10 4.0282359999999997e-10 3.999048e-10 3.97109e-10 3.942826e-10 3.9137e-10 3.883657e-10 3.852639e-10 3.820578e-10 3.787404e-10 3.753036e-10 3.717384e-10 3.6803490000000003e-10 3.64182e-10 3.60167e-10 3.559758e-10 3.515921e-10 3.4699749999999997e-10 3.421705e-10 3.370864e-10 3.317164e-10 3.260263e-10 3.199754e-10 3.135151e-10 3.065857e-10 2.991138e-10 2.910072e-10 2.821479e-10 2.7238190000000003e-10 2.615019e-10 2.492209e-10 2.351239e-10 2.185791e-10 1.98554e-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0949848 0.430411 0.909136 1.42364 1.88928 2.25488 2.50122 2.63339 2.67158 2.63996 2.56009 2.4597 2.36952 2.29778 2.21612 2.12199 2.01346 1.88821 1.74347 1.57589 1.38142 1.15507 0.890729 0.580739 0.215495 -0.217212 -0.733122 -1.35278 -2.10339 -3.02171 -4.25215 -6.9958 -11.5558 -16.3722 -20.8032 -26.8807 -50.1414 -94.248 -155.208 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.521824271451632e-20 6.89594447216574e-20 1.456596456328224e-19 2.28092274322776e-19 3.02696027108352e-19 3.61271604847392e-19 4.0073962404934796e-19 4.2191559262092597e-19 4.28034305186172e-19 4.2296822266946397e-19 4.10171637893706e-19 3.9408738666498e-19 3.79638957779568e-19 3.6814494260725196e-19 3.5506156821400797e-19 3.3998027955816594e-19 3.2259185654936396e-19 3.0252459420851395e-19 2.79334689607998e-19 2.5248541357542597e-19 2.21327884574028e-19 1.85062616463438e-19 1.4271051910261859e-19 9.304464562525259e-20 3.4526105374382994e-20 -3.4801199102440796e-20 -1.174590938271348e-19 -2.16739250694252e-19 -3.3700023101892597e-19 -4.84131315672414e-19 -6.8126953742631e-19 -1.1208507296137198e-18 -1.8514432747177197e-18 -2.62311562871748e-18 -3.33304009524288e-18 -4.30676294455638e-18 -8.03353794760476e-18 -1.51001943401232e-17 -2.4867063100987197e-17 ] } }