{ "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" [ [ 0.4656555 2.854978 2.130075 ] [ 2.415045 0.7163998 1.216409 ] [ 1.531563 1.029003 2.475027 ] [ 2.019704 2.428405 0.6522284 ] [ 2.764103 2.749341 2.416687 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.656555e-11 2.854978e-10 2.130075e-10 ] [ 2.415045e-10 7.163998000000001e-11 1.216409e-10 ] [ 1.531563e-10 1.029003e-10 2.475027e-10 ] [ 2.019704e-10 2.428405e-10 6.522284e-11 ] [ 2.764103e-10 2.749341e-10 2.416687e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8778098 3.2096401 1.3812343 ] [ 35.4786497 -25.2665366 -39.5695426 ] [ -32.341092 5.6174575 45.9521923 ] [ -5.0043133 13.1791303 -15.4095488 ] [ 5.7445655 3.2603087 7.6456649 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.212936201469124e-09 5.142410329402174e-09 2.212981303307054e-09 ] [ 5.684306308689293e-08 -4.048145422910752e-08 -6.339739604946965e-08 ] [ -5.181614149354192e-08 9.000159074837616e-09 7.362352817756579e-08 ] [ -8.017793772418496e-09 2.111529444913689e-08 -2.46888188244367e-08 ] [ 9.203808540754263e-09 5.22359037573084e-09 1.224970555325117e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.9052405 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.654708406901302e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4936185 3.0607473 2.2032585 ] [ 2.8590133 0.6326298 1.1281638 ] [ 1.2401149 0.9358492 2.7631382 ] [ 1.8127198 2.5570456 0.361474 ] [ 2.790604 2.5918548 2.4343919 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.936185000000001e-11 3.0607473e-10 2.2032585e-10 ] [ 2.8590133e-10 6.326298e-11 1.1281638e-10 ] [ 1.2401149e-10 9.358492000000001e-11 2.7631382e-10 ] [ 1.8127198e-10 2.5570456e-10 3.61474e-11 ] [ 2.790604e-10 2.5918548e-10 2.4343919e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.17e-05 9.28e-05 4.49e-05 ] [ 8.35e-05 1.88e-05 2.26e-05 ] [ -5.26e-05 -9.34e-05 9.01e-05 ] [ 2.23e-05 4.47e-05 -8.73e-05 ] [ 1.86e-05 -6.29e-05 -7.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.1487606371136e-13 1.4868199041024e-13 7.193773027392e-14 ] [ 1.337817478368e-13 3.012092047104e-14 3.620919163008e-14 ] [ -8.427449025408001e-14 -1.4964329638272e-13 1.4435611353408e-13 ] [ 3.572853864384e-14 7.161729494976001e-14 -1.3987001899584e-13 ] [ 2.980048514688e-14 -1.0077690944832e-13 -1.1263301644224e-13 ] ] } "relaxed-potential-energy" { "source-value" -20.467452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.279247308174621e-18 } }