{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2654991 -0.4059003 5.2524146 ] [ 3.8329733 -6.1098283 -3.1013351 ] [ -287.4327719 940.9725654 -302.0684156 ] [ 324.5068211 -984.041796 -3.3537105 ] [ -44.1725216 49.5849593 303.2710466 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.231906313263442e-09 -6.503239710357062e-10 8.415295874868583e-09 ] [ 6.141100209410624e-09 -9.78902405936221e-09 -4.96888659048643e-09 ] [ -4.605180671899192e-07 1.507604245098079e-06 -4.839669533564179e-07 ] [ 5.199172420565482e-07 -1.576608759441243e-06 -5.373236556031479e-09 ] [ -7.077218138930301e-08 7.944386253377953e-08 4.858937806280673e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 242.63928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.887509817037451e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.2932046 0.8247628 3.0274697 ] [ 0.5612872 1.2761585 0.5434231 ] [ 1.806448 3.5099144 0.0424567 ] [ 3.1714927 1.4717561 0.9220237 ] [ 2.7896766 1.0117551 3.3895568 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.932046e-11 8.247628000000001e-11 3.0274697e-10 ] [ 5.612872e-11 1.2761585e-10 5.434231000000001e-11 ] [ 1.806448e-10 3.5099144e-10 4.24567e-12 ] [ 3.1714927e-10 1.4717561e-10 9.220237e-11 ] [ 2.7896766e-10 1.0117551e-10 3.3895568e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.04e-05 -5.8e-06 -6.32e-05 ] [ -1.35e-05 -3.29e-05 8.44e-05 ] [ 1.01e-05 5.61e-05 -3.12e-05 ] [ -1.6e-06 -2.54e-05 3.16e-05 ] [ 1.54e-05 8e-06 -2.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.666263685632e-14 -9.292624400640001e-15 -1.0125756243456e-13 ] [ -2.16293843808e-14 -5.271161082432e-14 1.3522370679552e-13 ] [ 1.618198387008e-14 8.988210842688002e-14 -4.998791056896e-14 ] [ -2.56348259328e-15 -4.069528616832e-14 5.062878121728e-14 ] [ 2.467351996032e-14 1.28174129664e-14 -3.460701500928e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.178089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.592015596502165e-18 } }