{ "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" [ [ 0.5231689 0.1640524 1.493785 ] [ 2.625554 0.0718253 0.0473088 ] [ 2.391634 1.372958 2.83206 ] [ 1.806242 1.946446 0.9821647 ] [ 1.54049 2.8226 2.60214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.231689000000001e-11 1.640524e-11 1.493785e-10 ] [ 2.625554e-10 7.18253e-12 4.73088e-12 ] [ 2.391634e-10 1.372958e-10 2.83206e-10 ] [ 1.806242e-10 1.946446e-10 9.821647e-11 ] [ 1.54049e-10 2.8226e-10 2.60214e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3397932 -2.4259088 0.5571334 ] [ 0.6463388 -2.5384983 -0.2252389 ] [ 13.2520193 -20.9250866 9.8132432 ] [ 0.1330101 2.0828341 -18.3486473 ] [ -12.691575 23.8066595 8.2035096 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.146585341746819e-09 -3.886734363552984e-09 8.926261081468147e-10 ] [ 1.035548914475927e-09 -4.067122628200545e-09 -3.608724996747091e-10 ] [ 2.123207550085038e-08 -3.352568453873536e-08 1.572254882926458e-08 ] [ 2.1310567255027e-10 3.337068100025009e-09 -2.939777372736505e-08 ] [ -2.033414474612976e-08 3.814247327024622e-08 1.314347128962836e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.4510101 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.529127700364671e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4881263 0.5074512 1.6744067 ] [ 2.5442004 -0.1380861 0.4183048 ] [ 2.8650904 1.0292535 2.5991894 ] [ 1.9790233 2.2900138 0.5008785 ] [ 1.0106485 2.6892493 2.764679 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.881263e-11 5.074512e-11 1.6744067e-10 ] [ 2.5442004e-10 -1.380861e-11 4.183048e-11 ] [ 2.8650904e-10 1.0292535e-10 2.599189400000001e-10 ] [ 1.9790233e-10 2.2900138e-10 5.008785e-11 ] [ 1.0106485e-10 2.6892493e-10 2.764679e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.9e-06 2.83e-05 5.4e-06 ] [ -2.2e-05 -2.24e-05 -8.4e-06 ] [ 7.2e-06 3.73e-05 -2.1e-06 ] [ 1.03e-05 6.7e-06 3.82e-05 ] [ -4.4e-06 -4.99e-05 -3.32e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.425937192512e-14 4.534159836864e-14 8.65175375232e-15 ] [ -3.52478856576e-14 -3.588875630592e-14 -1.345828361472e-14 ] [ 1.153567166976e-14 5.976118795584e-14 -3.36457090368e-15 ] [ 1.650241919424e-14 1.073458335936e-14 6.120314691456e-14 ] [ -7.04957713152e-15 -7.994861337792e-14 -5.319226381056e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.840953 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.538000454779163e-18 } }