{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9255736 -15.1603015 -35.6011284 ] [ -18.5752093 3.5923225 -4.8211166 ] [ -14.1668552 -22.0400601 21.6174885 ] [ 0.3242012 33.7060824 -2.39296 ] [ 13.6228829 -15.8922673 7.2231839 ] [ 18.6688997 5.2945583 -13.3060706 ] [ 1.0516543 10.4996656 27.2806032 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.482932382749691e-09 -2.428948062757917e-08 -5.703929559657891e-08 ] [ -2.976076606692674e-08 5.755535123873808e-09 -7.724280302670784e-09 ] [ -2.269780419169891e-08 -3.531206901324692e-08 3.463503467511286e-08 ] [ 5.19427583075305e-10 5.400309720003836e-08 -3.833944566509568e-09 ] [ 2.18262644902761e-08 -2.546221911956434e-08 1.157281637231897e-08 ] [ 2.991087463540013e-08 8.482817525722593e-09 -2.131867523003423e-08 ] [ 1.684935932623789e-09 1.6822318750538e-08 4.370834464836167e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.841395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.698288933065802e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.22738 2.4035324 0.2708108 ] [ 0.728545 1.6104623 1.9233597 ] [ 2.0142979 1.6085224 3.9084236 ] [ 3.7916592 4.6895014 2.7867752 ] [ 4.1572085 1.0613099 3.0732168 ] [ 4.2374921 2.7850075 1.45721 ] [ 2.2929172 3.8963331 4.439358 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.22738e-10 2.4035324e-10 2.708108e-11 ] [ 7.28545e-11 1.6104623e-10 1.9233597e-10 ] [ 2.0142979e-10 1.6085224e-10 3.9084236e-10 ] [ 3.7916592e-10 4.6895014e-10 2.7867752e-10 ] [ 4.157208500000001e-10 1.0613099e-10 3.0732168e-10 ] [ 4.2374921e-10 2.7850075e-10 1.45721e-10 ] [ 2.2929172e-10 3.8963331e-10 4.439358000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.6e-05 2.66e-05 2.82e-05 ] [ 4.96e-05 -2.09e-05 1.16e-05 ] [ -1.05e-05 -2.23e-05 -3.22e-05 ] [ 1.54e-05 1.24e-05 4.16e-05 ] [ -2.2e-06 -2.6e-05 3.26e-05 ] [ -4e-06 -1.81e-05 -6.88e-05 ] [ -2.24e-05 4.82e-05 -1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.16565921408e-14 4.261789811328e-14 4.518138070656001e-14 ] [ 7.946796039168e-14 -3.348549137472e-14 1.858524880128e-14 ] [ -1.68228545184e-14 -3.572853864384e-14 -5.159008718975999e-14 ] [ 2.467351996032e-14 1.986699009792e-14 6.665054742528e-14 ] [ -3.52478856576e-15 -4.16565921408e-14 5.223095783807999e-14 ] [ -6.4087064832e-15 -2.899939683648e-14 -1.1022975151104e-13 ] [ -3.588875630592e-14 7.722491312256001e-14 -2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }