{ "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" [ [ 0.7742052 0.6824645 0.5764372 ] [ 0.6127639 2.971614 0.4436307 ] [ 0.405499 2.567939 2.589337 ] [ 2.552542 1.167694 2.901906 ] [ 2.397264 1.657583 0.5767519 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.742052e-11 6.824645e-11 5.764372e-11 ] [ 6.127639e-11 2.971614e-10 4.436307e-11 ] [ 4.05499e-11 2.567939e-10 2.589337e-10 ] [ 2.552542e-10 1.167694e-10 2.901906e-10 ] [ 2.397264e-10 1.657583e-10 5.767519e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.542771 -7.0823123 1.5988396 ] [ -2.5229221 4.702529 -3.2921547 ] [ 1.0030446 -1.7875446 2.2818529 ] [ -1.5789026 0.2441832 -0.3146695 ] [ 11.6415511 3.9231448 -0.2738683 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.368702797304824e-08 -1.134711518826428e-08 2.561623427529224e-09 ] [ -4.04216680471964e-09 7.534282022434004e-09 -5.274613292396839e-09 ] [ 1.607054607739688e-09 -2.863962166757287e-09 3.65593136848468e-09 ] [ -2.529680832240334e-09 3.912246142321305e-10 -5.041561161788256e-10 ] [ 1.865182100226852e-08 6.285570878573092e-09 -4.387853874382407e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.47514 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.838520102840691e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.626431 0.5820783 0.9365769 ] [ 0.3836879 2.9068426 0.0656768 ] [ 0.7579384 2.6459095 2.5179804 ] [ 2.3132227 0.712071 2.769546 ] [ 2.6609941 2.2003931 0.7982826 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.26431e-11 5.820783000000001e-11 9.365769000000001e-11 ] [ 3.836879e-11 2.9068426e-10 6.56768e-12 ] [ 7.579384e-11 2.6459095e-10 2.5179804e-10 ] [ 2.3132227e-10 7.12071e-11 2.769546e-10 ] [ 2.6609941e-10 2.2003931e-10 7.982826e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.33e-05 5.75e-05 4.83e-05 ] [ -2.78e-05 7.4e-06 1.04e-05 ] [ -1.54e-05 -3.53e-05 -3.96e-05 ] [ -2.06e-05 -2.4e-06 -1.7e-05 ] [ 2.05e-05 -2.72e-05 -2.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.937424768064e-14 9.212515569600001e-14 7.738513078464e-14 ] [ -4.454051005824e-14 1.185610699392e-14 1.666263685632e-14 ] [ -2.467351996032e-14 -5.655683471424e-14 -6.344619418368e-14 ] [ -3.300483838848e-14 -3.84522388992e-15 -2.72370025536e-14 ] [ 3.28446207264e-14 -4.357920408576e-14 -3.52478856576e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }