{ "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" [ [ 0.489786 0.6379758 2.385139 ] [ 2.264964 0.0865491 0.9234604 ] [ 2.944507 2.806058 0.1090737 ] [ 1.576252 2.005156 0.0788695 ] [ 2.792909 2.291732 2.895835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.89786e-11 6.379758e-11 2.385139e-10 ] [ 2.264964e-10 8.654910000000001e-12 9.234604e-11 ] [ 2.944507e-10 2.806058e-10 1.090737e-11 ] [ 1.576252e-10 2.005156e-10 7.88695e-12 ] [ 2.792909e-10 2.291732e-10 2.895835e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.4342419 3.1622273 -1.6213623 ] [ 1.4503402 -0.7229367 1.1646299 ] [ 6.2918369 0.0903983 9.5562686 ] [ -9.5902898 -1.9238003 0.1738725 ] [ -2.5861291 -0.6058886 -9.2734086 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.104438761683764e-09 5.066446691456908e-09 -2.597708792308498e-09 ] [ 2.323701179790887e-09 -1.158272288601068e-09 1.865942813037756e-09 ] [ 1.008063406611899e-08 1.448340440133222e-10 1.531083025914789e-08 ] [ -1.536533823084853e-08 -3.08226788914219e-09 2.78574456795165e-10 ] [ -4.143435616527448e-09 -9.707405577269723e-10 -1.485763857645465e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.6444184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.064553190699966e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.797759 0.7227997 3.0709487 ] [ 1.708914 0.1224723 0.9197215 ] [ 2.8625325 3.3246456 0.6479314 ] [ 1.8870376 1.7289278 -0.763541 ] [ 2.8121749 1.9286256 2.517317 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.97759e-11 7.227997e-11 3.070948700000001e-10 ] [ 1.708914e-10 1.224723e-11 9.197215e-11 ] [ 2.8625325e-10 3.324645600000001e-10 6.479314e-11 ] [ 1.8870376e-10 1.7289278e-10 -7.63541e-11 ] [ 2.8121749e-10 1.9286256e-10 2.517317e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.98e-05 -2.28e-05 -2.53e-05 ] [ -1.83e-05 -2.72e-05 2e-06 ] [ -6.4e-06 7.96e-05 -2.5e-05 ] [ 9.1e-06 -2.86e-05 8.09e-05 ] [ 8.54e-05 -1e-06 -3.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.118319290532e-13 -3.65296272552e-14 -4.053506884019999e-14 ] [ -2.93198324022e-14 -4.35792044448e-14 3.204353268e-15 ] [ -1.02539304576e-14 1.275332600664e-13 -4.005441585e-14 ] [ 1.45798073694e-14 -4.58222517324e-14 1.296160896906e-13 ] [ 1.368258845436e-13 -1.602176634e-15 -5.207074060499999e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.456761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.476446131152247e-18 } }