{ "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" [ [ 1.047673 1.456203 2.59416 ] [ 0.648425 2.408552 0.8864435 ] [ 2.028254 0.9559849 0.3097335 ] [ 1.556479 0.0798405 1.221415 ] [ 2.621496 2.506538 1.825694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.047673e-10 1.456203e-10 2.59416e-10 ] [ 6.48425e-11 2.408552e-10 8.864435000000001e-11 ] [ 2.028254e-10 9.559849e-11 3.097335e-11 ] [ 1.556479e-10 7.98405e-12 1.221415e-10 ] [ 2.621496e-10 2.506538e-10 1.825694e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.6005815 -2.1108841 13.7851565 ] [ -20.7880607 10.5238091 -9.2198028 ] [ 33.8433297 42.7546954 -64.5958262 ] [ -27.4618846 -61.9159248 51.7123419 ] [ 21.007197 10.7483044 8.3181306 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.057529745011267e-08 -3.382009182102119e-09 2.208625564033322e-08 ] [ -3.330614511971368e-08 1.686100104069657e-08 -1.477175261624777e-08 ] [ 5.422299206209821e-08 6.850057396366728e-08 -1.03493923391565e-07 ] [ -4.399878983172444e-08 -9.920024798706111e-08 8.285230588159916e-08 ] [ 3.36572401792349e-08 1.722068216479939e-08 1.33271144858804e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 23.965276 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.839660523456098e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9481717 1.5324654 2.7587273 ] [ -0.0127385 2.590098 0.5670653 ] [ 2.1283766 1.10634 0.1534419 ] [ 1.5866699 -0.373652 1.3060299 ] [ 3.2518473 2.551867 2.0521816 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.481717e-11 1.5324654e-10 2.7587273e-10 ] [ -1.27385e-12 2.590098e-10 5.670653e-11 ] [ 2.1283766e-10 1.10634e-10 1.534419e-11 ] [ 1.5866699e-10 -3.73652e-11 1.3060299e-10 ] [ 3.2518473e-10 2.551867e-10 2.0521816e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.58e-05 -3.3e-05 -1.95e-05 ] [ 4.3e-06 4.19e-05 1.3e-05 ] [ -3.49e-05 -9.3e-05 -1.1e-06 ] [ 5.27e-05 7.89e-05 -3.5e-06 ] [ -6.2e-06 5.2e-06 1.11e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.53143908172e-14 -5.287182892199999e-14 -3.1242444363e-14 ] [ 6.8893595262e-15 6.713120096459999e-14 2.082829624199999e-14 ] [ -5.59159645266e-14 -1.49002426962e-13 -1.7623942974e-15 ] [ 8.44347086118e-14 1.264117364226e-13 -5.607618218999999e-15 ] [ -9.9334951308e-15 8.331318496799998e-15 1.77841606374e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.64318 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.865443094145612e-18 } }