{ "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" [ [ 1.7772702 1.0413121 -0.3404968 ] [ 0.084059 -0.1724039 0.9725876 ] [ 28.290978 16.2452747 2.2996261 ] [ -28.8431051 -16.0575157 -0.5893503 ] [ -1.309202 -1.0566671 -2.3423667 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.847500786744507e-09 1.668365915321472e-09 -5.455360169117711e-10 ] [ 1.34677365677406e-10 -2.762215001904726e-10 1.558257127238138e-09 ] [ 4.532714390460805e-08 2.602779953725135e-08 3.684407204356547e-09 ] [ -4.621174904322622e-08 -2.572697645462815e-08 -9.4424327990089e-10 ] [ -2.097572853586068e-09 -1.692967337536541e-09 -3.752885194999687e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.448498 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.127279551995731e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6569205 1.0573636 2.22463 ] [ 2.5943345 0.3806246 0.9932352 ] [ 3.0801194 2.6660656 0.4749429 ] [ 0.9307225 1.7414218 -0.0595992 ] [ 2.8063211 1.9819954 2.7591687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.569205e-11 1.0573636e-10 2.22463e-10 ] [ 2.5943345e-10 3.806246e-11 9.932352e-11 ] [ 3.0801194e-10 2.6660656e-10 4.749429e-11 ] [ 9.307225e-11 1.7414218e-10 -5.95992e-12 ] [ 2.8063211e-10 1.9819954e-10 2.7591687e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.79e-05 7e-07 -2.4e-05 ] [ -1.13e-05 6.4e-06 1.36e-05 ] [ -1.61e-05 -1.53e-05 9.8e-06 ] [ 1.6e-06 6.3e-06 7.4e-06 ] [ -2e-06 1.8e-06 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.470072808859999e-14 1.1215236438e-15 -3.8452239216e-14 ] [ -1.81045959642e-14 1.02539304576e-14 2.17896022224e-14 ] [ -2.579504380739999e-14 -2.45133025002e-14 1.57013310132e-14 ] [ 2.5634826144e-15 1.00937127942e-14 1.18561070916e-14 ] [ -3.204353268e-15 2.8839179412e-15 -1.07345834478e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.13731965152234e-18 } }