{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1222575 -5.4735865 0.7874246 ] [ -4.5449608 -4.9910175 2.6108885 ] [ -6.2132214 1.5012151 -0.6152021 ] [ 1.8812299 2.9652181 -2.5917479 ] [ 6.7640955 3.4636149 0.4172174 ] [ -2.2867888 2.7751609 -8.3299441 ] [ 4.277388 -0.2406051 7.7213636 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.95878108217456e-10 -8.769652322226499e-09 1.261593284762792e-09 ] [ -7.281829936212466e-09 -7.996491552503665e-09 4.183104514215581e-09 ] [ -9.954678066934246e-09 2.405211736011934e-09 -9.856624216870637e-10 ] [ 3.014062564129922e-09 4.750803115392997e-09 -4.152437892387497e-09 ] [ 1.083727567095849e-08 5.549322816234531e-09 6.68455964070962e-10 ] [ -3.663839552067287e-09 4.446297912938286e-09 -1.33460416895909e-08 ] [ 6.853131051690472e-09 -3.854918660652461e-10 1.237098824061612e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.202083 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.236730507406112e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0492565 2.3417591 2.1893656 ] [ 4.4302774 1.4661515 1.819333 ] [ 5.5269858 2.1597125 4.0304712 ] [ 3.2274799 1.3616944 4.0810266 ] [ 5.7699451 3.6329683 2.1075519 ] [ 3.6205772 3.7455102 0.9697036 ] [ 3.6474142 3.8305064 3.5319161 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0492565e-10 2.3417591e-10 2.1893656e-10 ] [ 4.4302774e-10 1.4661515e-10 1.819333e-10 ] [ 5.5269858e-10 2.1597125e-10 4.0304712e-10 ] [ 3.2274799e-10 1.3616944e-10 4.081026600000001e-10 ] [ 5.7699451e-10 3.6329683e-10 2.1075519e-10 ] [ 3.6205772e-10 3.7455102e-10 9.697036e-11 ] [ 3.6474142e-10 3.8305064e-10 3.5319161e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.71e-05 5.19e-05 -2.8e-05 ] [ 3.49e-05 6.43e-05 -4.94e-05 ] [ 2.79e-05 6.3e-06 -2.48e-05 ] [ -4.29e-05 -5.61e-05 8.25e-05 ] [ -0.0001182 4.24e-05 5.92e-05 ] [ 5.44e-05 -9.75e-05 2.9e-05 ] [ 0.000111 -1.13e-05 -6.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.0750605125568e-13 8.315296661952001e-14 -4.48609453824e-14 ] [ 5.591596406592e-14 1.0301995671744e-13 -7.914752506752001e-14 ] [ 4.470072772032e-14 1.009371271104e-14 -3.973398019584e-14 ] [ -6.873337703232e-14 -8.988210842688002e-14 1.32179571216e-13 ] [ -1.8937727657856e-13 6.793228872192001e-14 9.484885595136001e-14 ] [ 8.715840817152e-14 -1.56212220528e-13 4.64631220032e-14 ] [ 1.778416049088e-13 -1.810459581504e-14 -1.097490985248e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }