{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8403174 0.0019487 1.613535 ] [ 0.0637823 2.769237 1.974876 ] [ 2.710551 0.627508 0.2521163 ] [ 2.357874 0.9595638 1.99039 ] [ 1.619464 1.82467 0.5389468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.403174e-11 1.9487e-13 1.613535e-10 ] [ 6.37823e-12 2.769237e-10 1.974876e-10 ] [ 2.710551e-10 6.27508e-11 2.521163e-11 ] [ 2.357874e-10 9.595638e-11 1.99039e-10 ] [ 1.619464e-10 1.82467e-10 5.389467999999999e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.3527244 -17.5946052 3.8997438 ] [ -0.1124033 0.8164661 -0.442482 ] [ 24.7595599 -20.856522 -39.4583378 ] [ 19.6886406 -1.6086639 62.1878421 ] [ -24.9830727 39.243325 -26.1867662 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.100648258246571e-08 -2.818966510364611e-08 6.248078343469751e-09 ] [ -1.800899393607687e-10 1.308122897095755e-09 -7.089343155248257e-10 ] [ 3.966918801307719e-08 -3.341583193960085e-08 -6.321922631878891e-08 ] [ 3.154467966465369e-08 -2.577363691304949e-09 9.963590671062198e-08 ] [ -4.002729499568674e-08 6.287473783745615e-08 -4.195582457999566e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.92509890076505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.711699776353354e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7983703 0.2938687 1.8445649 ] [ -0.4161941 2.2674488 1.5270076 ] [ 2.3736691 0.2260609 0.0730026 ] [ 3.0470835 0.9767983 2.1631338 ] [ 1.7890599 2.4187507 0.7621552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.983703e-11 2.938687e-11 1.8445649e-10 ] [ -4.161941e-11 2.2674488e-10 1.5270076e-10 ] [ 2.3736691e-10 2.260609e-11 7.30026e-12 ] [ 3.0470835e-10 9.767983000000001e-11 2.1631338e-10 ] [ 1.7890599e-10 2.4187507e-10 7.621552000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.8e-06 -8e-06 1e-07 ] [ 4.4e-06 5.6e-06 -3.5e-06 ] [ -1.1e-06 -1.66e-05 -1.91e-05 ] [ 1.94e-05 3.6e-06 2.09e-05 ] [ -1.48e-05 1.55e-05 1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.249697764224e-14 -1.28174129664e-14 1.6021766208e-16 ] [ 7.04957713152e-15 8.972189076479999e-15 -5.6076181728e-15 ] [ -1.76239428288e-15 -2.659613190528e-14 -3.060157345728e-14 ] [ 3.108222644352e-14 5.76783583488e-15 3.348549137472e-14 ] [ -2.371221398784e-14 2.48337376224e-14 2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.057896399234949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.103643361282738e-19 } }