{ "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" [ [ 1.601927 2.20995 2.424099 ] [ 1.129906 4.274554 2.615066 ] [ 2.801527 4.173724 0.979437 ] [ 2.35061 3.246819 4.113867 ] [ 5.119967 2.708037 1.074647 ] [ 4.165482 2.492594 3.422722 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.601927e-10 2.20995e-10 2.424099e-10 ] [ 1.129906e-10 4.274554e-10 2.615066e-10 ] [ 2.801527e-10 4.173724e-10 9.79437e-11 ] [ 2.35061e-10 3.246819e-10 4.113867e-10 ] [ 5.119967e-10 2.708037e-10 1.074647e-10 ] [ 4.165482e-10 2.492594e-10 3.422722e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0863934 -20.1878588 -9.2958702 ] [ -7.2530395 16.1915313 -5.2232108 ] [ 1.6820462 2.713744 -3.3561433 ] [ -0.5868481 4.7021732 19.9840658 ] [ -0.3864114 0.4694579 -0.6974198 ] [ 11.6306463 -3.8890477 -1.4114218 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.149300589671423e-09 -3.234451539337155e-08 -1.489362590443142e-08 ] [ -1.162065031663892e-08 2.594169290381143e-08 -8.368506229270066e-09 ] [ 2.694935096745481e-09 4.347897191636276e-09 -5.37713433131456e-09 ] [ -9.402343057809005e-10 7.533711967992323e-09 3.201800301328885e-08 ] [ -6.190993110905972e-10 7.521544718298642e-10 -1.117389698443012e-09 ] [ 1.863434958665403e-08 -6.230941302116012e-09 -2.261347010047454e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1483144 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.850685589007981e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.0975053 1.9063825 2.0392637 ] [ 1.3482275 3.8893793 2.5360579 ] [ 2.8868756 4.2255598 0.6255637 ] [ 2.730035 3.3492303 4.5183043 ] [ 5.1030846 3.1452898 1.2215109 ] [ 5.0036909 2.5898364 3.6891374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.750530000000001e-12 1.9063825e-10 2.0392637e-10 ] [ 1.3482275e-10 3.8893793e-10 2.5360579e-10 ] [ 2.886875600000001e-10 4.2255598e-10 6.255637e-11 ] [ 2.730035e-10 3.3492303e-10 4.5183043e-10 ] [ 5.1030846e-10 3.1452898e-10 1.2215109e-10 ] [ 5.0036909e-10 2.5898364e-10 3.6891374e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.84e-05 2.5e-06 -5.8e-06 ] [ 1.92e-05 1.2e-05 2.44e-05 ] [ 3e-06 -2.09e-05 -1.7e-06 ] [ -2.22e-05 -3.4e-06 2.5e-06 ] [ -6.3e-06 8.1e-06 -2.05e-05 ] [ -1.21e-05 1.8e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.948004982272e-14 4.005441552e-15 -9.292624400640001e-15 ] [ 3.076179111936e-14 1.92261194496e-14 3.909310954752e-14 ] [ 4.8065298624e-15 -3.348549137472e-14 -2.72370025536e-15 ] [ -3.556832098176e-14 -5.44740051072e-15 4.005441552e-15 ] [ -1.009371271104e-14 1.297763062848e-14 -3.28446207264e-14 ] [ -1.938633711168e-14 2.88391791744e-15 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.954651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.716434544602334e-18 } }