{ "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" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -78.7814753 -142.3490338 105.9113337 ] [ 269.9939792 108.649896 -212.2759266 ] [ -650.1127914 75.13002 280.2322915 ] [ 1584.4654669 221.101359 1407.6802182 ] [ -1125.5651794 -262.5322411 -1581.5479167 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.262218378777927e-07 -2.28068293947829e-07 1.696886627318872e-07 ] [ 4.325780412310015e-07 1.740763232235514e-07 -3.401035267571768e-07 ] [ -1.041595515264107e-06 1.203715615642364e-07 4.489816258345105e-07 ] [ 2.538593527532136e-06 3.542434282169077e-07 2.255352335162683e-06 ] [ -1.803354215621238e-06 -4.206230188966489e-07 -2.533919096811686e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 1108.9106 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.776670637877301e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.588243 -0.0477868 2.7537832 ] [ 0.8214296 2.8128749 -0.0984933 ] [ -0.8845164 2.313017 2.159897 ] [ 3.7524076 0.8867512 3.5180448 ] [ 2.2978473 0.4531474 0.4905653 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.88243e-11 -4.77868e-12 2.7537832e-10 ] [ 8.214296e-11 2.8128749e-10 -9.849330000000001e-12 ] [ -8.845164e-11 2.313017e-10 2.159897e-10 ] [ 3.7524076e-10 8.867512e-11 3.5180448e-10 ] [ 2.2978473e-10 4.531474e-11 4.905653e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.9e-06 -4.2e-06 1.26e-05 ] [ -3.49e-05 3.9e-06 2.91e-05 ] [ 1.19e-05 1.59e-05 -3.75e-05 ] [ 5.4e-06 -6.7e-06 4.3e-06 ] [ 1.57e-05 -8.9e-06 -8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.04413557952e-15 -6.72914180736e-15 2.018742542208e-14 ] [ -5.591596406592e-14 6.24848882112e-15 4.662333966527999e-14 ] [ 1.906590178752e-14 2.547460827072e-14 -6.008162327999999e-14 ] [ 8.65175375232e-15 -1.073458335936e-14 6.889359469440001e-15 ] [ 2.515417294656e-14 -1.425937192512e-14 -1.345828361472e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.663744 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.868737794779628e-18 } }