{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.2086719 -11.5481732 -11.3697558 ] [ -1.6650392 -3.8312015 23.91534 ] [ -18.1864728 16.7253212 -4.8837052 ] [ 1.6182683 -9.5442627 -5.6375605 ] [ 16.357699 -4.4563509 7.2863912 ] [ 7.4153178 2.8278809 -15.7645049 ] [ 8.6688988 9.8267862 6.4537951 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.276480193079792e-08 -1.850221311398912e-08 -1.82163569269652e-08 ] [ -2.667686878955536e-09 -6.138261472873891e-09 3.831659862648307e-08 ] [ -2.913794153497512e-08 2.67969186020106e-08 -7.824558294319389e-09 ] [ 2.592751636441761e-09 -1.529159456071349e-08 -9.03236763144556e-09 ] [ 2.620792290788354e-08 -7.139861226061039e-09 1.167408563064286e-08 ] [ 1.188064881496209e-08 4.530764664386862e-09 -2.525752118926704e-08 ] [ 1.388910698544117e-08 1.574424710724007e-08 1.03401196246536e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 33.142138 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.309955866692728e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3704892 1.9320107 2.3714181 ] [ 2.5309124 2.4908076 4.6015097 ] [ 1.9073825 4.748832 2.5538139 ] [ 3.7553571 1.2720093 1.7718841 ] [ 4.9977623 2.4917012 3.7093792 ] [ 4.0484858 3.7023081 1.0655195 ] [ 4.1071997 5.120043 3.4896505 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3704892e-10 1.9320107e-10 2.3714181e-10 ] [ 2.5309124e-10 2.4908076e-10 4.6015097e-10 ] [ 1.9073825e-10 4.748832e-10 2.5538139e-10 ] [ 3.7553571e-10 1.2720093e-10 1.7718841e-10 ] [ 4.9977623e-10 2.4917012e-10 3.7093792e-10 ] [ 4.0484858e-10 3.7023081e-10 1.0655195e-10 ] [ 4.1071997e-10 5.120043e-10 3.4896505e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.9004421 -1.6174641 0.5567746 ] [ 0.7794296 -0.7063933 -1.1565774 ] [ 1.6897377 2.095238 1.1207885 ] [ -2.1502889 3.6249651 -0.9626614 ] [ -0.208134 -0.7446849 1.2579131 ] [ 0.5886327 -4.4183563 -1.5057227 ] [ -2.5998191 1.7666955 0.6894852 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.044843901804056e-09 -2.591463166003313e-09 8.920512471752718e-10 ] [ 1.248783882679496e-09 -1.131766830349761e-09 -1.85304127042565e-09 ] [ 2.707258238224365e-09 3.356941338611751e-09 1.795701131561501e-09 ] [ -3.445142603545749e-09 5.807834334435933e-09 -1.542353588826597e-09 ] [ -3.334674287935872e-10 -1.193116736642786e-09 2.015398959818052e-09 ] [ 9.430935501783802e-10 -7.078987166224391e-09 -2.412433707347852e-09 ] [ -4.165369380329297e-09 2.830558226172567e-09 1.104677067827612e-09 ] ] } "relaxed-potential-energy" { "source-value" -11.584221 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.85599680563804e-18 } }