{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.5459432 -1.53168 -2.0053781 ] [ 0.9145448 -2.3441402 0.4984753 ] [ -1.5161731 2.4600783 -1.0127052 ] [ -0.4126807 -1.0782075 0.6996986 ] [ 0.2514217 0.7975057 0.2763234 ] [ 1.3478781 0.6683286 -1.8515218 ] [ 0.9609522 1.0281152 3.3951078 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.476874052124739e-09 -2.454021886546944e-09 -3.212969907684325e-09 ] [ 1.465262297234212e-09 -3.755726624317436e-09 7.986454717062662e-10 ] [ -2.429177093905861e-09 3.941479937597409e-09 -1.622532595202588e-09 ] [ -6.611873693953787e-10 -1.727478848871216e-09 1.121040738526491e-09 ] [ 4.028219697017914e-10 1.277744987494739e-09 4.427188912599667e-10 ] [ 2.159538779508324e-09 1.070780457931995e-09 -2.966464940861534e-09 ] [ 1.539615148546326e-09 1.647222136929116e-09 5.439562342255722e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.226542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.721302257442927e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0500868 3.3440741 2.5503872 ] [ 4.8459044 1.4086072 2.1768689 ] [ 3.5074424 2.7233423 0.7513546 ] [ 3.1370127 1.6023147 3.7875448 ] [ 5.7317039 3.419565 3.0274612 ] [ 4.0162515 4.7210914 1.9743926 ] [ 3.7355413 3.8716143 4.27513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0500868e-10 3.3440741e-10 2.5503872e-10 ] [ 4.845904400000001e-10 1.4086072e-10 2.1768689e-10 ] [ 3.5074424e-10 2.7233423e-10 7.513546e-11 ] [ 3.1370127e-10 1.6023147e-10 3.7875448e-10 ] [ 5.731703900000001e-10 3.419565e-10 3.0274612e-10 ] [ 4.0162515e-10 4.7210914e-10 1.9743926e-10 ] [ 3.7355413e-10 3.8716143e-10 4.27513e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.3e-06 -6.1e-06 -1.5e-06 ] [ -1.25e-05 -2.6e-06 1.01e-05 ] [ 5.4e-06 1.73e-05 1.18e-05 ] [ 8.5e-06 -2.68e-05 1.17e-05 ] [ -9.7e-06 -2.1e-06 -1.51e-05 ] [ 1.41e-05 1.26e-05 -1.3e-06 ] [ -1.11e-05 7.6e-06 -1.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.491536090240001e-15 -9.77327738688e-15 -2.4032649312e-15 ] [ -2.002720776e-14 -4.16565921408e-15 1.618198387008e-14 ] [ 8.65175375232e-15 2.771765553984e-14 1.890568412544e-14 ] [ 1.36185012768e-14 -4.293833343744e-14 1.874546646336e-14 ] [ -1.554111322176e-14 -3.36457090368e-15 -2.419286697408e-14 ] [ 2.259069035328e-14 2.018742542208e-14 -2.08282960704e-15 ] [ -1.778416049088e-14 1.217654231808e-14 -2.515417294656e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }