{ "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" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0002863 -3.0853693 -4.2996174 ] [ -5.6190592 -5.9189314 4.0111583 ] [ -6.5294171 3.6453372 -2.7899391 ] [ 5.7975917 9.3539925 1.2637475 ] [ 3.3505984 -3.995029 1.8146507 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.806988605170314e-09 -4.943306599720936e-09 -6.88874653341983e-09 ] [ -9.002725355302731e-09 -9.483173587328907e-09 6.426584103535162e-09 ] [ -1.046127951126004e-08 5.840474084890984e-09 -4.469975236302988e-09 ] [ 9.288765955212335e-09 1.498674821811124e-08 2.024746715775915e-09 ] [ 5.368250466397785e-09 -6.400742115952386e-09 2.907390950411743e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7939482 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.088510505864636e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4255245 0.5626788 2.121136 ] [ 0.3154107 1.5293772 2.0196006 ] [ 0.5259498 3.7734439 2.5828305 ] [ 2.7661783 4.1936566 3.0324874 ] [ 3.9401746 2.2092884 2.7471565 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4255245e-10 5.626788000000001e-11 2.121136e-10 ] [ 3.154107e-11 1.5293772e-10 2.0196006e-10 ] [ 5.259498e-11 3.7734439e-10 2.5828305e-10 ] [ 2.7661783e-10 4.1936566e-10 3.0324874e-10 ] [ 3.940174600000001e-10 2.2092884e-10 2.7471565e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.47e-05 6.5e-06 1.31e-05 ] [ 1.25e-05 -2e-06 -1.02e-05 ] [ 2.2e-06 3.5e-06 6.1e-06 ] [ -1.6e-06 -2.6e-05 -2.8e-06 ] [ 1.6e-06 1.8e-05 -6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.35519965198e-14 1.0414148121e-14 2.09885139054e-14 ] [ 2.0027207925e-14 -3.204353268e-15 -1.63422016668e-14 ] [ 3.5247885948e-15 5.607618218999999e-15 9.773277467399999e-15 ] [ -2.5634826144e-15 -4.165659248399999e-14 -4.486094575199999e-15 ] [ 2.5634826144e-15 2.8839179412e-14 -1.00937127942e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.43342 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992053500470828e-18 } }