{ "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" [ [ 0.4008083 0.5190667 2.588988 ] [ 0.3705603 2.591564 0.7446841 ] [ 2.694344 0.0700188 2.876141 ] [ 2.159519 1.331763 1.766469 ] [ 2.561241 2.816208 0.1583109 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.008083e-11 5.190667e-11 2.588988e-10 ] [ 3.705603e-11 2.591564e-10 7.446841e-11 ] [ 2.694344e-10 7.001880000000001e-12 2.876141e-10 ] [ 2.159519e-10 1.331763e-10 1.766469e-10 ] [ 2.561241e-10 2.816208e-10 1.583109e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.2485515 -1.8718617 2.0428314 ] [ -5.2972861 2.3380518 -1.5179389 ] [ 7.3205463 -9.2444999 7.8153233 ] [ 3.2765301 6.2754294 -5.1211162 ] [ 2.9487611 2.5028804 -3.2190996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.321563636876477e-08 -2.999053053110943e-09 3.272976709316133e-09 ] [ -8.487187943108811e-09 3.745971932179358e-09 -2.432006217382869e-09 ] [ 1.172880813334394e-08 -1.481132161076794e-08 1.252152827525351e-08 ] [ 5.249579923567487e-09 1.005434627016097e-08 -8.204932648040138e-09 ] [ 4.72443609474449e-09 4.010056461538552e-09 -5.157566119146632e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.3782911 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.208265777076715e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0355364 1.4887841 2.4974662 ] [ 0.0268709 2.3415204 0.2698236 ] [ 3.2969582 -0.559196 2.5302927 ] [ 2.4179589 1.6013657 2.5319541 ] [ 2.4091482 2.4561463 0.3050564 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.553640000000001e-12 1.4887841e-10 2.4974662e-10 ] [ 2.68709e-12 2.3415204e-10 2.698236e-11 ] [ 3.296958200000001e-10 -5.591960000000001e-11 2.5302927e-10 ] [ 2.4179589e-10 1.6013657e-10 2.5319541e-10 ] [ 2.4091482e-10 2.4561463e-10 3.050564e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 -1.1e-06 1.5e-06 ] [ -2e-06 8e-07 -1.5e-06 ] [ 2e-07 -8e-07 -1e-07 ] [ 7e-07 1e-06 1.2e-06 ] [ 2.1e-06 1e-07 -1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-15 -1.76239428288e-15 2.4032649312e-15 ] [ -3.2043532416e-15 1.28174129664e-15 -2.4032649312e-15 ] [ 3.2043532416e-16 -1.28174129664e-15 -1.6021766208e-16 ] [ 1.12152363456e-15 1.6021766208e-15 1.92261194496e-15 ] [ 3.36457090368e-15 1.6021766208e-16 -1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.0074345 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.122714772768734e-18 } }