{ "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" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -94.4528269 9.2824584 4.8700701 ] [ -1.2539553 -31.2218787 -45.3390215 ] [ 1.3160077 31.2137921 43.9278598 ] [ 5.8718193 2.4988015 -32.5080591 ] [ 88.5189552 -11.7731732 29.0491508 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.513301110276494e-07 1.487213783202857e-08 7.802712455877119e-09 ] [ -2.00905786518825e-09 -5.00229641105935e-08 -7.264112025724856e-08 ] [ 2.10847676973278e-09 5.001000794913174e-08 7.038018997334017e-08 ] [ 9.407691604022222e-09 4.003521343319971e-09 -5.208365227760468e-08 ] [ 1.418230005190826e-07 -1.886270285366912e-08 4.654187026585362e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 21.854052 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.501405118414748e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2694464 0.7865591 2.7569036 ] [ 0.5904474 1.4228217 0.2143672 ] [ 0.3519709 3.282015 2.0206596 ] [ 2.9335278 0.5391885 0.359995 ] [ 2.6291349 -0.0641536 2.7710037 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.694464e-11 7.865591e-11 2.7569036e-10 ] [ 5.904473999999999e-11 1.4228217e-10 2.143672e-11 ] [ 3.519709e-11 3.282015e-10 2.0206596e-10 ] [ 2.9335278e-10 5.391884999999999e-11 3.59995e-11 ] [ 2.6291349e-10 -6.415360000000001e-12 2.7710037e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.54e-05 -3e-07 3.7e-06 ] [ -1.15e-05 -2.6e-06 -7.1e-06 ] [ 1.01e-05 -1e-06 2.6e-06 ] [ 1.07e-05 5.2e-06 -1.09e-05 ] [ 6.1e-06 -1.3e-06 1.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.467351996032e-14 -4.8065298624e-16 5.928053496960001e-15 ] [ -1.84250311392e-14 -4.16565921408e-15 -1.137545400768e-14 ] [ 1.618198387008e-14 -1.6021766208e-15 4.16565921408e-15 ] [ 1.714328984256e-14 8.33131842816e-15 -1.746372516672e-14 ] [ 9.77327738688e-15 -2.08282960704e-15 1.874546646336e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.615343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.501853748037294e-18 } }