{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.498941 0.2917441 1.412179 ] [ 0.7321813 1.344758 2.47059 ] [ 0.7391833 1.573141 0.3619984 ] [ 0.011627 2.973124 1.6693 ] [ 2.701347 1.320916 0.403113 ] [ 2.713757 1.097636 2.168947 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.498941e-10 2.917441e-11 1.412179e-10 ] [ 7.321813e-11 1.344758e-10 2.47059e-10 ] [ 7.391833000000001e-11 1.573141e-10 3.619984e-11 ] [ 1.1627e-12 2.973124e-10 1.6693e-10 ] [ 2.701347e-10 1.320916e-10 4.03113e-11 ] [ 2.713757e-10 1.097636e-10 2.168947e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -100.3209087 -206.6093334 19.2485191 ] [ -46.039501 31.6084389 90.1376515 ] [ -64.0964341 22.8383152 -49.7616808 ] [ -15.6763246 36.1182374 -4.2302449 ] [ 156.8326362 85.141811 -84.8155163 ] [ 69.3005322 30.9025309 29.4212714 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.607318144965513e-07 -3.310246436125526e-07 3.083952728704226e-08 ] [ -7.376341213549822e-08 5.064230182556527e-08 1.444164378871181e-07 ] [ -1.026938081916679e-07 3.659101467190128e-08 -7.972700158947224e-08 ] [ -2.511624077419191e-08 5.786779554678418e-08 -6.777599479038434e-09 ] [ 2.512735830980718e-07 1.364122190367723e-07 -1.358894372969413e-07 ] [ 1.110316924998376e-07 4.951131253152958e-08 4.713807319129169e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 99.017085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.586428586467664e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.1976513 -0.2033901 1.2718906 ] [ 0.6719234 1.4109778 3.2642532 ] [ 0.530697 1.7426602 -0.3467919 ] [ -0.2464746 3.0743368 1.6294372 ] [ 3.0713815 1.4063613 0.0491182 ] [ 3.1718581 1.1703732 2.6182201 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1976513e-10 -2.033901e-11 1.2718906e-10 ] [ 6.719234e-11 1.4109778e-10 3.2642532e-10 ] [ 5.30697e-11 1.7426602e-10 -3.467919e-11 ] [ -2.464746e-11 3.0743368e-10 1.6294372e-10 ] [ 3.0713815e-10 1.4063613e-10 4.91182e-12 ] [ 3.1718581e-10 1.1703732e-10 2.6182201e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.27e-05 1.21e-05 2.9e-06 ] [ 6.8e-06 -1.26e-05 -1.65e-05 ] [ 1.7e-06 -7.1e-06 5.4e-06 ] [ 1.45e-05 9.7e-06 2.5e-06 ] [ -2.15e-05 -7.8e-06 2.96e-05 ] [ -2.43e-05 5.7e-06 -2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.636940929216e-14 1.938633711168e-14 4.646312200320001e-15 ] [ 1.089480102144e-14 -2.018742542208e-14 -2.64359142432e-14 ] [ 2.72370025536e-15 -1.137545400768e-14 8.65175375232e-15 ] [ 2.32315610016e-14 1.554111322176e-14 4.005441552e-15 ] [ -3.44467973472e-14 -1.249697764224e-14 4.742442797568e-14 ] [ -3.893289188544e-14 9.13240673856e-15 -3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.684471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.15379992290156e-18 } }