{ "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" [ [ -5.1711772 3.9137006 2.089126 ] [ 1.8946068 -2.6268553 -2.746247 ] [ -0.2368305 -3.6505425 -2.8128222 ] [ 1.2578973 -0.1762552 0.6454535 ] [ -1.0296947 -3.1394142 2.3630032 ] [ 0.0216943 -0.0386773 -1.5581052 ] [ 3.263504 5.7180438 2.0195918 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.285139280113543e-09 6.27043965379178e-09 3.347148862681884e-09 ] [ 3.035494745577511e-09 -4.20868618255906e-09 -4.399972774592598e-09 ] [ -3.79444293318537e-10 -5.848813894923944e-09 -4.506638004436474e-09 ] [ 2.015373662031688e-09 -2.823919630609967e-10 1.034130516033519e-09 ] [ -1.64975278849364e-09 -5.029896075687802e-09 3.785948513107229e-09 ] [ 3.475810055098619e-11 -6.196786632620819e-11 -2.496359744753897e-09 ] [ 5.228709853765536e-09 9.16131616854857e-09 3.235742792178001e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.415469 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.110701076995135e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.725513 3.7336948 3.2827258 ] [ 5.3993785 2.6354293 1.7478028 ] [ 3.1478353 1.5405029 2.0089771 ] [ 5.5775382 2.2801412 4.1703789 ] [ 3.3297793 1.6551468 4.4070824 ] [ 3.3515605 3.7093442 0.9355259 ] [ 5.0285011 4.4577789 3.3689165 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.725513e-10 3.7336948e-10 3.2827258e-10 ] [ 5.3993785e-10 2.6354293e-10 1.7478028e-10 ] [ 3.1478353e-10 1.5405029e-10 2.0089771e-10 ] [ 5.5775382e-10 2.2801412e-10 4.170378900000001e-10 ] [ 3.329779300000001e-10 1.6551468e-10 4.4070824e-10 ] [ 3.3515605e-10 3.7093442e-10 9.355259000000001e-11 ] [ 5.028501099999999e-10 4.4577789e-10 3.3689165e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.49e-05 2.31e-05 6.85e-05 ] [ 3.39e-05 -9.7e-06 -4.04e-05 ] [ 7.24e-05 -1.9e-05 -3.32e-05 ] [ -5.1e-05 -1.1e-06 -1.23e-05 ] [ -4.43e-05 1.27e-05 -1.3e-06 ] [ -5.67e-05 -4.36e-05 -9.4e-06 ] [ 8.06e-05 3.77e-05 2.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.59159645266e-14 3.70102802454e-14 1.09749099429e-13 ] [ 5.431378789259999e-14 -1.55411133498e-14 -6.472793601359999e-14 ] [ 1.159975883016e-13 -3.0441356046e-14 -5.31922642488e-14 ] [ -8.171100833399999e-14 -1.7623942974e-15 -1.97067725982e-14 ] [ -7.09764248862e-14 2.03476432518e-14 -2.0828296242e-15 ] [ -9.08434151478e-14 -6.985490124239999e-14 -1.50604603596e-14 ] [ 1.291354367004e-13 6.040205910179999e-14 4.486094575199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.055691 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.533711276692409e-18 } }