{ "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" [ [ 0.7266937 0.3281129 0.1138198 ] [ 0.6755994 0.7068783 2.528749 ] [ 1.24494 2.902842 0.1722514 ] [ 2.894919 0.4231749 1.051303 ] [ 2.63173 1.048668 2.819948 ] [ 2.452649 2.84958 1.823943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.266937e-11 3.281129e-11 1.138198e-11 ] [ 6.755994e-11 7.068783e-11 2.528749e-10 ] [ 1.24494e-10 2.902842e-10 1.722514e-11 ] [ 2.894919e-10 4.231749e-11 1.051303e-10 ] [ 2.63173e-10 1.048668e-10 2.819948e-10 ] [ 2.452649e-10 2.84958e-10 1.823943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9389636 0.5273937 -2.4149314 ] [ -16.2947818 -4.2839329 5.311476 ] [ -4.43177 0.7801515 -5.4573423 ] [ 10.9205004 -10.7920267 -15.214225 ] [ 6.7864576 -0.7753141 16.0902645 ] [ 4.9585573 14.5437285 1.6847583 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.106562148502203e-09 8.449778560972089e-10 -3.869146629915813e-09 ] [ -2.610711844099734e-08 -6.863617137455944e-09 8.5099226691403e-09 ] [ -7.100478282762816e-09 1.249940493982051e-09 -8.7436262447629e-09 ] [ 1.749657042831705e-08 -1.729073286978937e-08 -2.437587559859088e-08 ] [ 1.087310370477048e-08 -1.242190124796593e-09 2.57794456043882e-08 ] [ 7.944484578957171e-09 2.330162178196265e-08 2.699280359958752e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.7715698 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.644897578075332e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7201313 0.5073975 0.2691582 ] [ 0.3371182 0.4256926 2.6472773 ] [ 1.2525277 2.8048839 -0.0017215 ] [ 3.0738958 0.2134798 0.7418015 ] [ 2.6337018 1.0899232 2.9526934 ] [ 2.6091563 3.217879 1.9008053 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.201313e-11 5.073975e-11 2.691582e-11 ] [ 3.371182e-11 4.256926e-11 2.6472773e-10 ] [ 1.2525277e-10 2.8048839e-10 -1.7215e-13 ] [ 3.0738958e-10 2.134798e-11 7.418015e-11 ] [ 2.6337018e-10 1.0899232e-10 2.9526934e-10 ] [ 2.6091563e-10 3.217879e-10 1.9008053e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.98e-05 -1.44e-05 7.89e-05 ] [ -2.18e-05 -3.13e-05 -5.06e-05 ] [ 3.11e-05 2.3e-05 -1e-06 ] [ 2.5e-06 3.19e-05 -1.73e-05 ] [ 5.5e-06 1.82e-05 1.92e-05 ] [ 2.5e-06 -2.73e-05 -2.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.172309709184e-14 -2.307134333952e-14 1.2641173538112e-13 ] [ -3.492745033344e-14 -5.014812823104e-14 -8.107013701248e-14 ] [ 4.982769290688e-14 3.68500622784e-14 -1.6021766208e-15 ] [ 4.005441552e-15 5.110943420352001e-14 -2.771765553984e-14 ] [ 8.8119714144e-15 2.915961449856e-14 3.076179111936e-14 ] [ 4.005441552e-15 -4.373942174784e-14 -4.694377498944e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.112917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.421356228949088e-18 } }