{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.0893124 2.1771935 1.3255285 ] [ 1.0471317 -1.4128709 -1.9497121 ] [ -0.0234065 -2.1557548 -1.5312111 ] [ 0.4877836 -0.0939378 0.331279 ] [ -0.2971093 -1.0452631 1.0134304 ] [ 0.4968393 -0.1474997 -0.3309168 ] [ 1.3780735 2.6781328 1.1416021 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.949624101627538e-09 3.488248524657725e-09 2.123730772904093e-09 ] [ 1.677689928638559e-09 -2.263668724188654e-09 -3.123783143910872e-09 ] [ -3.75013470747552e-11 -3.45389994073738e-09 -2.453270625929451e-09 ] [ 7.815154799296589e-10 -1.505049469693862e-10 5.307674687620032e-10 ] [ -4.760215742822535e-10 -1.674696101404932e-09 1.623694493687993e-09 ] [ 7.960243107546375e-10 -2.363205709150138e-10 -5.301871603899495e-10 ] [ 2.207917143444029e-09 4.290841759557643e-09 1.829048194876184e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.219672 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.720201562104438e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5700928 3.6841198 3.3741691 ] [ 5.4263707 2.3600494 1.7603241 ] [ 3.1443804 1.5891276 1.9785427 ] [ 5.5948792 2.4168735 4.1327602 ] [ 3.3825856 1.6694878 4.3443129 ] [ 3.5897107 3.8373333 1.1753618 ] [ 4.8520866 4.4550466 3.1559387 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5700928e-10 3.6841198e-10 3.3741691e-10 ] [ 5.4263707e-10 2.3600494e-10 1.7603241e-10 ] [ 3.1443804e-10 1.5891276e-10 1.9785427e-10 ] [ 5.5948792e-10 2.4168735e-10 4.1327602e-10 ] [ 3.3825856e-10 1.6694878e-10 4.3443129e-10 ] [ 3.5897107e-10 3.8373333e-10 1.1753618e-10 ] [ 4.852086599999999e-10 4.4550466e-10 3.1559387e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.38e-05 2.12e-05 0.0 ] [ 2.25e-05 1.57e-05 -1.1e-05 ] [ -3.75e-05 -2.31e-05 -1.43e-05 ] [ 7e-06 -1e-05 6.5e-06 ] [ 1.7e-05 1.08e-05 -9.6e-06 ] [ 1.6e-05 -2.41e-05 2.69e-05 ] [ -1.2e-06 9.6e-06 1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.813180357504e-14 3.396614436096001e-14 0.0 ] [ 3.604897396800001e-14 2.515417294656e-14 -1.76239428288e-14 ] [ -6.008162327999999e-14 -3.701027994048e-14 -2.291112567744e-14 ] [ 1.12152363456e-14 -1.6021766208e-14 1.04141480352e-14 ] [ 2.72370025536e-14 1.730350750464e-14 -1.538089555968e-14 ] [ 2.56348259328e-14 -3.861245656128e-14 4.309855109952001e-14 ] [ -1.92261194496e-15 1.538089555968e-14 2.4032649312e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.628085 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.945854200207517e-18 } }