{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.6126077 -61.6931173 7.627643 ] [ -58.2343274 75.6662397 11.9566358 ] [ -65.0050754 45.6632033 -41.3073715 ] [ 32.9685057 -68.5484419 6.8185802 ] [ -15.6531859 12.5511723 -26.0376306 ] [ 100.2874464 13.4273254 -22.4174679 ] [ -0.975971 -17.0663815 63.359611 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.059456554674848e-08 -9.884327101668116e-08 1.222083138709366e-08 ] [ -9.330167865698596e-08 1.212306812299832e-07 1.91566425000079e-08 ] [ -1.041496128972882e-07 7.316051736085169e-08 -6.618170542925752e-08 ] [ 5.28213694904358e-08 -1.098267119092866e-07 1.092456987349505e-08 ] [ -2.507916869663826e-08 2.010919498836804e-08 -4.17168833520434e-08 ] [ 1.606782033056074e-07 2.15129470129947e-08 -3.591674326282504e-08 ] [ -1.563677931661614e-09 -2.734335766622987e-08 1.015132882835294e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 34.411529 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.513334770401338e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0277807 1.5419959 3.1011189 ] [ 2.6967794 4.3487179 0.4694442 ] [ 1.8156003 4.3911653 3.1515337 ] [ 3.7867569 1.7737578 0.8611203 ] [ 5.1257879 1.3983968 3.4033614 ] [ 4.9330727 4.2766894 2.4763387 ] [ 3.6975091 3.2949298 5.062966 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0277807e-10 1.5419959e-10 3.1011189e-10 ] [ 2.6967794e-10 4.3487179e-10 4.694442e-11 ] [ 1.8156003e-10 4.3911653e-10 3.1515337e-10 ] [ 3.7867569e-10 1.7737578e-10 8.611203e-11 ] [ 5.1257879e-10 1.3983968e-10 3.4033614e-10 ] [ 4.933072700000001e-10 4.276689400000001e-10 2.4763387e-10 ] [ 3.6975091e-10 3.2949298e-10 5.062966000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.09e-05 -1.37e-05 2.45e-05 ] [ -1.16e-05 1e-05 -2.22e-05 ] [ 1.2e-06 -1.13e-05 6.8e-06 ] [ 1.35e-05 1.34e-05 9.5e-06 ] [ -9.1e-06 -2.2e-05 -1.8e-06 ] [ 3.43e-05 2.79e-05 -1.99e-05 ] [ -1.74e-05 -4.3e-06 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.74637253106e-14 -2.19498198858e-14 3.925332753299999e-14 ] [ -1.85852489544e-14 1.602176634e-14 -3.55683212748e-14 ] [ 1.9226119608e-15 -1.81045959642e-14 1.08948011112e-14 ] [ 2.162938455899999e-14 2.14691668956e-14 1.5220678023e-14 ] [ -1.45798073694e-14 -3.5247885948e-14 -2.8839179412e-15 ] [ 5.49546585462e-14 4.470072808859999e-14 -3.18833150166e-14 ] [ -2.78778734316e-14 -6.8893595262e-15 4.806529901999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.780386 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.008949562670072e-18 } }