{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0295195 -1.7514593 -2.8318071 ] [ -0.1923923 -0.3403409 0.3605566 ] [ 2.0626165 -1.1184299 1.2091699 ] [ -2.0254577 1.4097203 -1.2812829 ] [ 1.0884079 0.7411371 -0.7244248 ] [ -0.6818658 -1.2295968 2.0194407 ] [ 1.7782108 2.2889695 1.2483476 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.251648694357706e-09 -2.806147142742733e-09 -4.537055130235448e-09 ] [ -3.082464450819398e-10 -5.452862330820308e-10 5.776753549951373e-10 ] [ 3.304675933976323e-09 -1.791922237783682e-09 1.937303744355074e-09 ] [ -3.24514097335934e-09 2.258620906527162e-09 -2.052841507010824e-09 ] [ 1.743821691274024e-09 1.187432534427512e-09 -1.160656478087716e-09 ] [ -1.092469443283089e-09 -1.970031245970493e-09 3.235500676631987e-09 ] [ 2.849007770614065e-09 3.667333418624266e-09 2.00007333935179e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.098418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.700774529706589e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3113896 3.143882 1.2732612 ] [ 1.3630312 1.7819508 3.0028482 ] [ 3.4417325 3.5444942 4.7874215 ] [ 1.5713232 4.1350178 3.4095414 ] [ 4.4184134 2.2365689 1.9681834 ] [ 3.4813355 1.3467844 3.9385332 ] [ 3.8865877 4.4794908 2.6255711 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3113896e-10 3.143882e-10 1.2732612e-10 ] [ 1.3630312e-10 1.7819508e-10 3.0028482e-10 ] [ 3.4417325e-10 3.5444942e-10 4.7874215e-10 ] [ 1.5713232e-10 4.1350178e-10 3.4095414e-10 ] [ 4.418413400000001e-10 2.2365689e-10 1.9681834e-10 ] [ 3.4813355e-10 1.3467844e-10 3.9385332e-10 ] [ 3.8865877e-10 4.4794908e-10 2.6255711e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.36e-05 8.6e-06 -3e-07 ] [ -3.2e-05 -2.8e-06 -2.41e-05 ] [ 2.13e-05 -2.6e-06 -2.3e-06 ] [ -4.27e-05 -7.8e-06 3.04e-05 ] [ 2e-07 -6.5e-06 2.72e-05 ] [ 1.95e-05 2.01e-05 -3.2e-06 ] [ 2e-05 -9e-06 -2.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.178960204288e-14 1.377871893888e-14 -4.8065298624e-16 ] [ -5.12696518656e-14 -4.48609453824e-15 -3.861245656128e-14 ] [ 3.412636202304e-14 -4.16565921408e-15 -3.68500622784e-15 ] [ -6.841294170816001e-14 -1.249697764224e-14 4.870616927232e-14 ] [ 3.2043532416e-16 -1.04141480352e-14 4.357920408576e-14 ] [ 3.12424441056e-14 3.220375007808e-14 -5.126965186560001e-15 ] [ 3.2043532416e-14 -1.44195895872e-14 -4.438029239616e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }