{ "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" [ [ 0.5178768 0.1602588 0.5935764 ] [ 0.4933098 1.000634 2.761993 ] [ 1.438085 2.624316 0.8145388 ] [ 2.471365 1.192312 0.8679319 ] [ 2.522268 2.85035 2.866422 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.178768e-11 1.602588e-11 5.935764e-11 ] [ 4.933098e-11 1.000634e-10 2.761993e-10 ] [ 1.438085e-10 2.624316e-10 8.145388e-11 ] [ 2.471365e-10 1.192312e-10 8.679319e-11 ] [ 2.522268e-10 2.85035e-10 2.866422e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0448988 -5.2731222 -3.8393349 ] [ -3.8538033 -1.7760155 5.7353653 ] [ -3.0780097 7.6511 -4.1689629 ] [ 7.6033935 -4.3404012 -2.7043132 ] [ 3.3733182 3.7384388 4.9772456 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.480642290861976e-09 -8.448473107461463e-09 -6.151292616201506e-09 ] [ -6.174473548421889e-09 -2.845490512278422e-09 9.189068195407578e-09 ] [ -4.931515179935622e-09 1.225841354340288e-08 -6.679414891362569e-09 ] [ 1.218197930444269e-08 -6.954089327532264e-09 -4.332787384360834e-09 ] [ 5.404651554559139e-09 5.989639243651607e-09 7.974426536299668e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 31.962538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.120963112503159e-18 } "relaxed-configuration-positions" { "source-value" [ [ -1.4310842 -2.0923709 -1.5700896 ] [ -1.3122242 0.1964608 5.4134353 ] [ 0.2518777 5.1169885 -0.9397037 ] [ 5.5239292 -0.1938672 -0.138107 ] [ 4.410406 4.8006596 5.1389271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.4310842e-10 -2.0923709e-10 -1.5700896e-10 ] [ -1.3122242e-10 1.964608e-11 5.4134353e-10 ] [ 2.518777e-11 5.116988499999999e-10 -9.397037e-11 ] [ 5.523929200000001e-10 -1.938672e-11 -1.38107e-11 ] [ 4.410406e-10 4.800659600000001e-10 5.1389271e-10 ] ] } "relaxed-configuration-forces" { "source-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 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / 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 ] ] } "relaxed-potential-energy" { "source-value" 8.8817842e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.423018699623083e-34 } }