{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.91343 2.805447 1.311156 ] [ 2.653002 2.505168 3.277079 ] [ 1.829519 4.618852 2.376516 ] [ 4.982305 1.900488 2.423676 ] [ 4.143762 3.996307 2.985709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.91343e-10 2.805447e-10 1.311156e-10 ] [ 2.653002e-10 2.505168e-10 3.277079e-10 ] [ 1.829519e-10 4.618852000000001e-10 2.376516e-10 ] [ 4.982305e-10 1.900488e-10 2.423676e-10 ] [ 4.143762e-10 3.996307e-10 2.985709e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1112881 -0.1077127 -11.2372737 ] [ -5.0251639 -6.0056911 10.6269613 ] [ -0.5753346 0.9767632 0.2741882 ] [ -0.0697104 -1.034343 -0.3389378 ] [ 4.5589208 6.1709836 0.6750619 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.780479812793252e-09 -1.725747697032442e-10 -1.800409720367071e-08 ] [ -8.05120011626815e-09 -9.622177872166635e-09 1.702626894500638e-08 ] [ -9.217876452573197e-10 1.564947163097795e-09 4.392979237392346e-10 ] [ -1.116883731066163e-10 -1.657200172488134e-09 -5.430382190653863e-10 ] [ 7.304196321838833e-09 9.887005651260218e-09 1.081568393772828e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.173088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.790126037574103e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0706886 2.8979705 1.0469585 ] [ 2.5933135 2.3803962 3.4962099 ] [ 1.8296277 4.4922893 2.4678038 ] [ 4.7791843 1.8382199 2.4818402 ] [ 4.2492038 4.2173861 2.8813237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0706886e-10 2.8979705e-10 1.0469585e-10 ] [ 2.5933135e-10 2.3803962e-10 3.4962099e-10 ] [ 1.8296277e-10 4.492289300000001e-10 2.4678038e-10 ] [ 4.7791843e-10 1.8382199e-10 2.4818402e-10 ] [ 4.2492038e-10 4.2173861e-10 2.8813237e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.22e-05 -2e-07 1.23e-05 ] [ 1e-05 3.2e-06 -1.77e-05 ] [ 3.5e-06 -2.8e-06 3.3e-05 ] [ -3.02e-05 -5.5e-06 8.3e-06 ] [ -2.55e-05 5.3e-06 -3.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.761185339776e-14 -3.2043532416e-16 1.970677243584e-14 ] [ 1.6021766208e-14 5.126965186560001e-15 -2.835852618816e-14 ] [ 5.6076181728e-15 -4.48609453824e-15 5.28718284864e-14 ] [ -4.838573394816e-14 -8.8119714144e-15 1.329806595264e-14 ] [ -4.08555038304e-14 8.491536090240001e-15 -5.751814068672e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.299971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.2911079214318e-18 } }