{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.044824 1.955008 1.363184 ] [ 4.804837 1.704442 0.3842414 ] [ 5.395877 3.200403 2.033527 ] [ 3.92549 3.943599 0.3069547 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.044824e-10 1.955008e-10 1.363184e-10 ] [ 4.804837e-10 1.704442e-10 3.842414e-11 ] [ 5.395877e-10 3.200403e-10 2.033527e-10 ] [ 3.92549e-10 3.943599e-10 3.069547e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9665383 1.360738 1.4490588 ] [ 5.3536364 1.2637082 0.8685356 ] [ -4.4863431 -0.461416 -7.4874249 ] [ 3.0992451 -2.1630303 5.1698304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.355094929767777e-09 2.18014261063415e-09 2.321648131524503e-09 ] [ 8.577471076343878e-09 2.024683733553251e-09 1.3915474326525e-09 ] [ -7.187914027707396e-09 -7.392699276630528e-10 -1.199617712477578e-08 ] [ 4.965538041348958e-09 -3.46555657674201e-09 8.282981400381113e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.2588764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.823472198956869e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.884832 -0.2230823 1.0828829 ] [ 4.1434749 1.5805341 1.0948 ] [ 4.9352407 3.6338503 1.0270792 ] [ 5.2074804 5.8121499 0.8831449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.884832e-10 -2.230823e-11 1.0828829e-10 ] [ 4.1434749e-10 1.5805341e-10 1.0948e-10 ] [ 4.9352407e-10 3.6338503e-10 1.0270792e-10 ] [ 5.207480399999999e-10 5.8121499e-10 8.831449000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0401374 -0.0710959 0.0007317 ] [ 0.071573 0.1521125 -0.0033773 ] [ -0.048544 -0.1536524 0.0064254 ] [ 0.0171084 0.0726358 -0.0037798 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.430720389969791e-11 -1.139081888147347e-10 1.17231263343936e-12 ] [ 1.146725872805184e-10 2.4371109123144e-10 -5.411031101427841e-12 ] [ -7.777606188011519e-11 -2.461782830098099e-10 1.029462565928832e-11 ] [ 2.741067849929472e-11 1.163753805931046e-10 -6.055907191299839e-12 ] ] } "relaxed-potential-energy" { "source-value" -8.4155114 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.348313561715588e-18 } }