{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1216963 0.8434563 0.6529034 ] [ 1.22339 2.430398 0.5407666 ] [ 1.204993 2.740018 2.994063 ] [ 2.532779 1.090129 0.1823715 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.216963e-11 8.434563000000001e-11 6.529034e-11 ] [ 1.22339e-10 2.430398e-10 5.407666e-11 ] [ 1.204993e-10 2.740018e-10 2.994063e-10 ] [ 2.532779e-10 1.090129e-10 1.823715e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.8470034 -6.0358183 1.9774552 ] [ -0.5015888 8.1220938 1.5913316 ] [ 0.0508018 0.6356243 0.1291146 ] [ 15.2977904 -2.7218997 -3.6979014 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.378752193239855e-08 -9.6704470473296e-09 3.168232516221797e-09 ] [ -8.03633855236099e-10 1.301302890551627e-08 2.549594306465834e-09 ] [ 8.13934569251412e-11 1.018382401462606e-09 2.068643952282564e-10 ] [ 2.450976233070951e-08 -4.36096409943161e-09 -5.924691217915888e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.6838515 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.504357430425851e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.142517 0.4525791 0.2537518 ] [ 1.1292016 2.6568583 0.9404763 ] [ 1.2875683 3.2028769 3.1739452 ] [ 2.5235715 0.7916871 0.0019312 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.42517e-11 4.525791e-11 2.537518e-11 ] [ 1.1292016e-10 2.6568583e-10 9.404763e-11 ] [ 1.2875683e-10 3.2028769e-10 3.1739452e-10 ] [ 2.5235715e-10 7.916871e-11 1.9312e-13 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.84e-05 7.6e-06 -1.3e-06 ] [ -2.48e-05 1.16e-05 -3.5e-05 ] [ 2.41e-05 -2.96e-05 -6.8e-06 ] [ -2.78e-05 1.04e-05 4.31e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.550181640559999e-14 1.21765424184e-14 -2.0828296242e-15 ] [ -3.97339805232e-14 1.85852489544e-14 -5.607618218999999e-14 ] [ 3.86124568794e-14 -4.74244283664e-14 -1.08948011112e-14 ] [ -4.454051042519999e-14 1.66626369936e-14 6.90538129254e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.326579 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.654500358295509e-18 } }