{ "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" [ [ 2.1688 2.788884 1.320769 ] [ 2.532136 2.630615 3.81334 ] [ 3.448306 1.022917 2.319133 ] [ 4.871015 2.854538 3.444822 ] [ 3.148673 5.011898 0.914954 ] [ 4.462028 3.106005 1.382629 ] [ 3.536809 5.003724 3.350012 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1688e-10 2.788884e-10 1.320769e-10 ] [ 2.532136e-10 2.630615e-10 3.813340000000001e-10 ] [ 3.448306e-10 1.022917e-10 2.319133e-10 ] [ 4.871015e-10 2.854538e-10 3.444822e-10 ] [ 3.148673e-10 5.011898e-10 9.149540000000001e-11 ] [ 4.462028e-10 3.106005e-10 1.382629e-10 ] [ 3.536809e-10 5.003724e-10 3.350012e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6410967 -0.1231579 -1.2619045 ] [ -0.3987642 0.1437021 1.5996369 ] [ 0.0193752 -2.0190234 -0.3536088 ] [ 1.2796104 0.2237242 4.6394302 ] [ -0.4782854 1.4380534 0.5223218 ] [ 3.3673711 -0.1662921 -4.6396606 ] [ -0.1482104 0.5029937 -0.506215 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.833680054874507e-09 -1.973207096725086e-10 -2.021793904239453e-09 ] [ -6.388906837157028e-10 2.302361468767314e-10 2.562900864064194e-09 ] [ 3.10424927190768e-11 -3.234832114979235e-09 -5.665437569367792e-10 ] [ 2.050161883503393e-09 3.584456857003428e-10 7.433186661513946e-09 ] [ -7.662976922633436e-10 2.304015555924255e-09 8.368517833888211e-10 ] [ 5.395123294426877e-09 -2.664293170387914e-10 -7.433555803010419e-09 ] [ -2.374592397957936e-10 8.058847531892057e-10 -8.110458447803099e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.780065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.047592152400121e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1295612 2.7875568 1.3071699 ] [ 2.5278387 2.6321636 3.8305787 ] [ 3.4485148 1.0011587 2.3153223 ] [ 4.8848049 2.856949 3.4948195 ] [ 3.1435187 5.0273954 0.9205829 ] [ 4.498317 3.1042129 1.332629 ] [ 3.5352118 5.0091446 3.3445567 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1295612e-10 2.7875568e-10 1.3071699e-10 ] [ 2.527838700000001e-10 2.6321636e-10 3.8305787e-10 ] [ 3.4485148e-10 1.0011587e-10 2.3153223e-10 ] [ 4.8848049e-10 2.856949e-10 3.4948195e-10 ] [ 3.1435187e-10 5.0273954e-10 9.205829e-11 ] [ 4.498317e-10 3.1042129e-10 1.332629e-10 ] [ 3.5352118e-10 5.0091446e-10 3.3445567e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.3404156 -0.5673961 -0.9784347 ] [ 0.120576 -0.0831987 1.0752793 ] [ -0.5741579 -0.6881073 -0.1566821 ] [ 0.5232097 0.0524738 1.8001067 ] [ -0.3647501 0.9557221 0.5381418 ] [ 1.7774103 -0.1698557 -1.8244169 ] [ -0.1418723 0.5003619 -0.453994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.14758255416909e-09 -9.090687736427273e-10 -1.5676252142348e-09 ] [ 1.93184049821184e-10 -1.332990131191758e-10 1.722787369483876e-09 ] [ -9.199023716065085e-10 -1.102469437744828e-09 -2.510323995860514e-10 ] [ 8.382743560221497e-10 8.407229625718919e-11 2.884088893446847e-09 ] [ -5.843940874691634e-10 1.531235617217411e-09 8.621982177387011e-10 ] [ 2.84772525169093e-09 -2.721388336917138e-10 -2.923038127854714e-09 ] [ -2.273044840718382e-10 8.016681447238446e-10 -7.273785787761959e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.431754 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.152004241243604e-18 } }