{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4264597 0.3568663 1.24612 ] [ 0.1993437 1.82063 0.3429825 ] [ 0.3583889 1.799016 2.47518 ] [ 1.901803 0.1168384 0.4528213 ] [ 1.669099 0.8043485 2.197104 ] [ 2.479285 2.402454 1.01494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.264597e-11 3.568663e-11 1.24612e-10 ] [ 1.993437e-11 1.82063e-10 3.429825e-11 ] [ 3.583889e-11 1.799016e-10 2.47518e-10 ] [ 1.901803e-10 1.168384e-11 4.528213e-11 ] [ 1.669099e-10 8.043485000000001e-11 2.197104e-10 ] [ 2.479285e-10 2.402454e-10 1.01494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -61.9438167 -50.2484886 -4.4072706 ] [ -9.6544261 28.5294587 -26.2205947 ] [ -29.7936835 34.7870369 26.9161053 ] [ 34.030234 -14.5871469 -32.0573854 ] [ 57.8257679 -9.0912633 39.9455179 ] [ 9.5359243 10.6104032 -4.1763725 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.924493491986061e-08 -8.050695366545532e-08 -7.061225916859189e-09 ] [ -1.546809578466132e-08 4.570923173321916e-08 -4.201002381181239e-08 ] [ -4.773474315121472e-08 5.573497722808691e-08 4.312435463465097e-08 ] [ 5.452244531515327e-08 -2.33711857273552e-08 -5.136159341185526e-08 ] [ 9.264709340918713e-08 -1.456580951279706e-08 6.399977488512791e-08 ] [ 1.527823497117861e-08 1.699973994430151e-08 -6.691286379252048e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 38.489736 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.166735515996411e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.214085 0.0521173 0.6906624 ] [ 0.1150409 2.5635628 0.449458 ] [ 0.0011603 1.5118618 2.763504 ] [ 2.1959627 -0.2661973 0.6646425 ] [ 2.4112113 1.1935657 2.7374695 ] [ 2.525089 2.2452429 0.4234115 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.14085e-11 5.21173e-12 6.906624e-11 ] [ 1.150409e-11 2.5635628e-10 4.49458e-11 ] [ 1.1603e-13 1.5118618e-10 2.763504e-10 ] [ 2.1959627e-10 -2.661973e-11 6.646425000000001e-11 ] [ 2.4112113e-10 1.1935657e-10 2.7374695e-10 ] [ 2.525089e-10 2.2452429e-10 4.234115e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.4e-06 1.39e-05 2.27e-05 ] [ -1.2e-05 -1e-05 3.5e-06 ] [ -2.41e-05 1.91e-05 -1.9e-06 ] [ 3.18e-05 -4.7e-06 -1.79e-05 ] [ -3.9e-06 -1.57e-05 -1.24e-05 ] [ 9.5e-06 -2.6e-06 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.24304726912e-15 2.227025502912e-14 3.636940929216e-14 ] [ -1.92261194496e-14 -1.6021766208e-14 5.6076181728e-15 ] [ -3.861245656128e-14 3.060157345728e-14 -3.04413557952e-15 ] [ 5.094921654144e-14 -7.53023011776e-15 -2.867896151232001e-14 ] [ -6.24848882112e-15 -2.515417294656e-14 -1.986699009792e-14 ] [ 1.52206778976e-14 -4.16565921408e-15 9.6130597248e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.331035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.296084922886653e-18 } }