{ "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" [ [ 2.674789 2.922951 1.929928 ] [ 1.975006 0.6488867 2.865648 ] [ 2.721706 2.680777 4.242411 ] [ 4.506989 0.6613651 2.267837 ] [ 4.914488 1.931532 3.86875 ] [ 3.976236 4.774813 0.5862588 ] [ 4.03158 4.218687 2.874326 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.674789e-10 2.922951e-10 1.929928e-10 ] [ 1.975006e-10 6.488867e-11 2.865648e-10 ] [ 2.721706e-10 2.680777e-10 4.242411e-10 ] [ 4.506989e-10 6.613651e-11 2.267837e-10 ] [ 4.914488e-10 1.931532e-10 3.86875e-10 ] [ 3.976236e-10 4.774813e-10 5.862588e-11 ] [ 4.03158e-10 4.218687e-10 2.874326e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.8911235 -10.7906584 -11.8800175 ] [ -1.7024355 -3.1608772 0.394916 ] [ -11.3453519 -6.8125001 11.755699 ] [ -4.4296799 -11.7072024 -16.4592496 ] [ 8.1610129 13.4232279 14.9706741 ] [ 0.4385695 1.4652228 -3.9933693 ] [ 20.7690084 17.5827873 5.2113473 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.90516802237083e-08 -1.728854075395582e-08 -1.903388645001109e-08 ] [ -2.727602378992107e-09 -5.064283592783344e-09 6.327251875927439e-10 ] [ -1.81772577186875e-08 -1.091482847934266e-08 1.883470625413717e-08 ] [ -7.097129631879456e-09 -1.875700613478872e-08 -2.637062512229384e-08 ] [ 1.307538417815258e-08 2.150638209423689e-08 2.398566423824898e-08 ] [ 7.02665805285063e-10 2.347545733764055e-09 -6.398082983392935e-09 ] [ 3.327561996982972e-08 2.817073097265194e-08 8.349498875718988e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.39008 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.985109666939072e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.489106 2.8152174 1.6324204 ] [ 1.9773451 0.4468412 3.0479375 ] [ 2.5585634 2.601254 4.3852395 ] [ 4.266587 0.8721722 1.902236 ] [ 5.1392023 2.1748779 3.89342 ] [ 4.2456982 4.4698104 0.5990826 ] [ 4.1242919 4.4588387 3.1748229 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.489106e-10 2.8152174e-10 1.6324204e-10 ] [ 1.9773451e-10 4.468412e-11 3.0479375e-10 ] [ 2.5585634e-10 2.601254e-10 4.3852395e-10 ] [ 4.266587000000001e-10 8.721722e-11 1.902236e-10 ] [ 5.1392023e-10 2.1748779e-10 3.89342e-10 ] [ 4.2456982e-10 4.4698104e-10 5.990826000000001e-11 ] [ 4.124291900000001e-10 4.4588387e-10 3.1748229e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.04e-05 -2.55e-05 5.2e-06 ] [ -8.5e-06 -2.08e-05 -1.1e-05 ] [ 2.32e-05 3.51e-05 4.5e-06 ] [ 1.06e-05 -5.2e-06 -1.04e-05 ] [ -5.4e-06 1.53e-05 5e-06 ] [ 3.21e-05 1.92e-05 -4.19e-05 ] [ -1.6e-06 -1.8e-05 4.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.074970235359998e-14 -4.0855504167e-14 8.331318496799998e-15 ] [ -1.3618501389e-14 -3.332527398719999e-14 -1.7623942974e-14 ] [ 3.71704979088e-14 5.62363998534e-14 7.209794853e-15 ] [ 1.69830723204e-14 -8.331318496799998e-15 -1.66626369936e-14 ] [ -8.6517538236e-15 2.45133025002e-14 8.010883169999999e-15 ] [ 5.14298699514e-14 3.076179137279999e-14 -6.713120096459999e-14 ] [ -2.5634826144e-15 -2.8839179412e-14 7.802600207579999e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.270618 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.728364041833981e-18 } }