{ "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" [ [ 0.0350973 2.432676 1.699297 ] [ 2.982994 0.1541281 0.8678609 ] [ 1.761148 2.120053 0.4355543 ] [ 1.533994 1.582134 2.799495 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.50973e-12 2.432676e-10 1.699297e-10 ] [ 2.982994e-10 1.541281e-11 8.678609000000001e-11 ] [ 1.761148e-10 2.120053e-10 4.355543e-11 ] [ 1.533994e-10 1.582134e-10 2.799495e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.8313063 3.8670817 -1.4533732 ] [ -1.1699274 1.1931068 2.0725736 ] [ 3.3479393 0.1220787 -4.9300841 ] [ 6.6532944 -5.1822672 4.3108837 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.414931248498375e-08 6.195747890463519e-09 -2.328560562337283e-09 ] [ -1.87443032831333e-09 1.911567821077502e-09 3.320628966807291e-09 ] [ 5.363990074317518e-09 1.955916390376569e-10 -7.89886548359781e-09 ] [ 1.065975273897956e-08 -8.302907350578678e-09 6.9067970791278e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2235294 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.369016682741453e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.253764 2.57226 1.7299637 ] [ 2.9028525 0.5722353 1.1711398 ] [ 1.6228219 2.0794213 -0.1536014 ] [ 1.533795 1.0650745 3.0547051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.53764e-11 2.57226e-10 1.7299637e-10 ] [ 2.9028525e-10 5.722353e-11 1.1711398e-10 ] [ 1.6228219e-10 2.0794213e-10 -1.536014e-11 ] [ 1.533795e-10 1.0650745e-10 3.0547051e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 2e-07 1e-07 ] [ -2e-07 5e-07 2e-07 ] [ -0.0 -5e-07 4e-07 ] [ 0.0 -2e-07 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-16 3.2043532416e-16 1.6021766208e-16 ] [ -3.2043532416e-16 8.010883104e-16 3.2043532416e-16 ] [ 0.0 -8.010883104e-16 6.408706483200001e-16 ] [ 0.0 -3.2043532416e-16 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -8.6379755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383956239714319e-18 } }