{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6305471 0.004372 1.304235 ] [ 0.7154426 1.383697 2.938133 ] [ 2.486494 1.164331 0.5043625 ] [ 2.840403 0.4835428 2.252778 ] [ 2.544628 2.936148 1.00011 ] [ 2.473494 2.502288 2.980444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.305471000000001e-11 4.372e-13 1.304235e-10 ] [ 7.154426000000001e-11 1.383697e-10 2.938133e-10 ] [ 2.486494e-10 1.164331e-10 5.043625000000001e-11 ] [ 2.840403e-10 4.835428e-11 2.252778e-10 ] [ 2.544628e-10 2.936148e-10 1.00011e-10 ] [ 2.473494e-10 2.502288e-10 2.980444e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3441399 -8.2536662 -7.6121399 ] [ -16.8942762 -0.2289763 10.9697947 ] [ -3.214764 -20.0093924 -43.2842888 ] [ 15.2540888 -24.5447399 28.6568497 ] [ 2.0900882 39.5170321 -8.7874373 ] [ 9.1090032 13.5197426 20.0572217 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.016443262686445e-08 -1.322383102152718e-08 -1.219599258203885e-08 ] [ -2.706761435297786e-08 -3.66860474577287e-10 1.757554860331575e-08 ] [ -5.150619722189492e-09 -3.20585806996932e-08 -6.934907556331529e-08 ] [ 2.443974444696713e-08 -3.932500843139693e-08 4.591333461511949e-08 ] [ 3.348690449449954e-09 6.331326495402313e-08 -1.407902659880588e-08 ] [ 1.459423196583239e-08 2.166101551295381e-08 3.213521168594244e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 9.0422563 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.448729164314151e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6275474 0.1409264 1.051836 ] [ 0.5789719 1.4492526 3.2202331 ] [ 2.8394351 0.9694591 0.1870917 ] [ 2.7527527 0.0955076 2.5909189 ] [ 2.0859438 3.2238918 0.8331363 ] [ 2.8063576 2.5953413 3.0968464 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.275474e-11 1.409264e-11 1.051836e-10 ] [ 5.789719e-11 1.4492526e-10 3.220233100000001e-10 ] [ 2.8394351e-10 9.694591e-11 1.870917e-11 ] [ 2.7527527e-10 9.55076e-12 2.5909189e-10 ] [ 2.0859438e-10 3.2238918e-10 8.331363000000001e-11 ] [ 2.8063576e-10 2.5953413e-10 3.0968464e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.9e-06 -1.77e-05 -1.4e-06 ] [ -2.37e-05 -5.4e-06 1.7e-05 ] [ 8.1e-06 1.52e-05 -1.48e-05 ] [ -6.2e-06 -1.5e-05 8.6e-06 ] [ 3.3e-06 1.13e-05 -2.08e-05 ] [ 2.34e-05 1.16e-05 1.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.850665441919999e-15 -2.835852618816e-14 -2.24304726912e-15 ] [ -3.797158591296e-14 -8.65175375232e-15 2.72370025536e-14 ] [ 1.297763062848e-14 2.435308463616e-14 -2.371221398784e-14 ] [ -9.93349504896e-15 -2.4032649312e-14 1.377871893888e-14 ] [ 5.28718284864e-15 1.810459581504e-14 -3.332527371264e-14 ] [ 3.749093292672001e-14 1.858524880128e-14 1.810459581504e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.642267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.506167448371136e-18 } }