{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4808323 -0.9094149 -0.9857992 ] [ -0.9710649 -3.3564407 2.4277205 ] [ -2.7029188 -1.1267194 2.3628015 ] [ -1.2156112 3.3914553 -1.2348126 ] [ 0.7836655 -2.9521467 -4.7636719 ] [ 3.8617106 -3.8820845 5.8884867 ] [ 0.7250511 8.8353509 -3.6947251 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.703782695854919e-10 -1.45704329138717e-09 -1.579424431043343e-09 ] [ -1.55581748005949e-09 -5.377610818641587e-09 3.889637026936887e-09 ] [ -4.330553309280791e-09 -1.805203480881804e-09 3.785625322891172e-09 ] [ -1.947623844622633e-09 5.433710392148251e-09 -1.978387878789262e-09 ] [ 1.255570542627542e-09 -4.729860423911872e-09 -7.632243747341917e-09 ] [ 6.18714243961554e-09 -6.219785025870058e-09 9.434395722631743e-09 ] [ 1.161659921305323e-09 1.415579264854424e-08 -5.919602175502943e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.368526 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.821438657015694e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8675086 1.7933838 2.4454331 ] [ 1.5032562 0.8422805 4.759491 ] [ 2.0926015 3.2247441 5.4276715 ] [ 1.380886 4.083842 3.2490309 ] [ 4.2066911 2.3442359 2.5904429 ] [ 4.3797032 3.0546848 4.8599763 ] [ 3.6605864 4.9102059 2.5132752 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8675086e-10 1.7933838e-10 2.4454331e-10 ] [ 1.5032562e-10 8.422805e-11 4.759491e-10 ] [ 2.0926015e-10 3.2247441e-10 5.4276715e-10 ] [ 1.380886e-10 4.083842e-10 3.2490309e-10 ] [ 4.2066911e-10 2.3442359e-10 2.590442900000001e-10 ] [ 4.3797032e-10 3.0546848e-10 4.8599763e-10 ] [ 3.6605864e-10 4.910205900000001e-10 2.5132752e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.23e-05 3.6e-06 -7.4e-06 ] [ 1.58e-05 -8.2e-06 6.5e-06 ] [ -4.9e-06 5.3e-06 2.6e-06 ] [ 7.6e-06 1.08e-05 -1.1e-05 ] [ 1.2e-05 -8.04e-05 -4.68e-05 ] [ -2.25e-05 7.29e-05 -2.61e-05 ] [ 4.2e-06 -4e-06 8.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.970677243584e-14 5.76783583488e-15 -1.185610699392e-14 ] [ 2.531439060864e-14 -1.313784829056e-14 1.04141480352e-14 ] [ -7.850665441919999e-15 8.491536090240001e-15 4.16565921408e-15 ] [ 1.217654231808e-14 1.730350750464e-14 -1.76239428288e-14 ] [ 1.92261194496e-14 -1.2881500031232e-13 -7.498186585344001e-14 ] [ -3.604897396800001e-14 1.1679867565632e-13 -4.181680980288e-14 ] [ 6.72914180736e-15 -6.4087064832e-15 1.3153870056768e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.891963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.026826143961863e-18 } }