{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3586569 -2.2577257 7.0006156 ] [ 3.3562233 -3.1985184 -3.0939028 ] [ -4.8114355 4.7776427 -0.1531791 ] [ 4.0857565 -0.8004982 0.3809616 ] [ -5.2054286 1.6043159 -3.8202092 ] [ 0.0135953 0.2758929 -0.5427922 ] [ 0.2026321 -0.4011091 0.2285062 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.778984941668604e-09 -3.617275332719314e-09 1.121622264552777e-08 ] [ 5.377262505444225e-09 -5.124591401678623e-09 -4.956978733187658e-09 ] [ -7.708769470587159e-09 7.654627436475788e-09 -2.454199728151853e-10 ] [ 6.546103542581634e-09 -1.282539501032483e-09 6.103677689425613e-10 ] [ -8.340016004163676e-09 2.570397427357711e-09 -6.120649866805072e-09 ] [ 2.178207181276224e-11 4.420291542247123e-10 -8.696489727925977e-10 ] [ 3.246524132436077e-10 -6.426476224101293e-10 3.661072913478489e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.5967844 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.217139035893815e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7388501 2.1150133 4.6999122 ] [ 0.4327938 3.7035106 2.0728651 ] [ 2.4436497 3.1014285 2.7484217 ] [ 4.2423956 3.5577838 1.5560739 ] [ 3.7508983 1.3709635 6.5064921 ] [ 7.9485085 5.7634854 1.4827032 ] [ 6.2168231 4.446463 1.1569468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7388501e-10 2.1150133e-10 4.6999122e-10 ] [ 4.327938e-11 3.7035106e-10 2.0728651e-10 ] [ 2.4436497e-10 3.1014285e-10 2.7484217e-10 ] [ 4.2423956e-10 3.5577838e-10 1.5560739e-10 ] [ 3.7508983e-10 1.3709635e-10 6.5064921e-10 ] [ 7.948508500000001e-10 5.763485400000001e-10 1.4827032e-10 ] [ 6.2168231e-10 4.446463e-10 1.1569468e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0093154 0.0035323 -0.0285494 ] [ 0.0455706 -0.0302651 0.0017349 ] [ -0.0755565 0.0039634 0.0605057 ] [ 0.1143052 0.0598927 -0.0597127 ] [ -0.0116836 -0.014646 0.0221653 ] [ 0.0789712 0.0359015 -0.0155151 ] [ -0.1422914 -0.0583787 0.0193713 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.492491609340032e-11 5.65936847765184e-12 -4.574118121786752e-11 ] [ 7.30121499158285e-11 -4.849003564617407e-11 2.77961621942592e-12 ] [ -1.210548578494752e-10 6.35006681887872e-12 9.694081796513856e-11 ] [ 1.831371190758682e-10 9.595868369658816e-11 -9.567029190484417e-11 ] [ -1.871919076677888e-11 -2.34654787882368e-11 3.551272545301824e-11 ] [ 1.26525810356521e-10 5.752054395165121e-11 -2.485793048937408e-11 ] [ -2.279759544209011e-10 -9.353298829269696e-11 3.103624397450304e-11 ] ] } "relaxed-potential-energy" { "source-value" -15.782159 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.528580617554831e-18 } }