{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6536315 -2.7193842 -1.7078737 ] [ 0.0580012 1.2074654 1.5294381 ] [ 1.1145532 1.9883727 -1.6845359 ] [ 0.3277554 -0.5318649 1.2121071 ] [ 1.1268491 -0.5432309 3.2709687 ] [ -0.4596932 1.4063172 -1.6521396 ] [ -0.5138342 -0.8076752 -0.9679647 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.649409728718435e-09 -4.356933788212911e-09 -2.736315313419193e-09 ] [ 9.292816661834496e-11 1.93457283430492e-09 2.450429966780773e-09 ] [ 1.785711079677827e-09 3.185724253376972e-09 -2.698924035878287e-09 ] [ 5.251220392209522e-10 -8.521415082041299e-10 1.942009657525688e-09 ] [ 1.805411283189521e-09 -8.703518476761427e-10 5.240669578508569e-09 ] [ -7.365096977807386e-10 2.253168539268918e-09 -2.647019441417863e-09 ] [ -8.232531422074713e-10 -1.294038322639964e-09 -1.550850412099686e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.358736085572456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.17899949149415e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7193683 2.3383993 1.7894522 ] [ 2.6074629 2.4295495 4.2106784 ] [ 2.9314571 4.7045649 1.3000969 ] [ 1.5483369 4.0732312 3.0151001 ] [ 4.6451657 2.0450285 3.2345881 ] [ 4.8454008 3.4510646 1.4357519 ] [ 3.9117614 4.3429751 3.4890334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7193683e-10 2.3383993e-10 1.7894522e-10 ] [ 2.6074629e-10 2.4295495e-10 4.2106784e-10 ] [ 2.9314571e-10 4.7045649e-10 1.3000969e-10 ] [ 1.5483369e-10 4.0732312e-10 3.0151001e-10 ] [ 4.6451657e-10 2.0450285e-10 3.2345881e-10 ] [ 4.8454008e-10 3.4510646e-10 1.4357519e-10 ] [ 3.9117614e-10 4.342975100000001e-10 3.4890334e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.15e-05 1.21e-05 9.3e-06 ] [ -4e-06 4.1e-06 -1.08e-05 ] [ 1.55e-05 -3.22e-05 2.11e-05 ] [ -6.4e-06 -1.38e-05 -4e-07 ] [ -1.65e-05 2.11e-05 -9.7e-06 ] [ 1.01e-05 7.6e-06 -7.2e-06 ] [ 1.29e-05 1.1e-06 -2.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.84250311392e-14 1.938633711168e-14 1.490024257344e-14 ] [ -6.4087064832e-15 6.568924145279999e-15 -1.730350750464e-14 ] [ 2.48337376224e-14 -5.159008718975999e-14 3.380592669888e-14 ] [ -1.025393037312e-14 -2.211003736704e-14 -6.408706483200001e-16 ] [ -2.64359142432e-14 3.380592669888e-14 -1.554111322176e-14 ] [ 1.618198387008e-14 1.217654231808e-14 -1.153567166976e-14 ] [ 2.066807840832e-14 1.76239428288e-15 -3.68500622784e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.821491085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.573576339869981e-18 } }