{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1701903 -0.5880592 1.3133613 ] [ -0.7166611 2.2399931 0.8642473 ] [ 1.4282323 -0.2018327 0.5024572 ] [ 1.8368741 -1.6046463 -2.5540633 ] [ -0.3481823 -0.6428198 -1.2219894 ] [ 0.6877474 0.2638478 -0.6139543 ] [ -2.7178202 0.5335171 1.7099412 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.726749197469383e-10 -9.421747018863514e-10 2.104236769523495e-09 ] [ -1.148217659456811e-09 3.588864575573317e-09 1.384676818649524e-09 ] [ 2.288280400131412e-09 -3.233716332529402e-10 8.050251787926298e-10 ] [ 2.942996738373041e-09 -2.570926786513223e-09 -4.092060507303297e-09 ] [ -5.578495408363719e-10 -1.029910854947332e-09 -1.95784284754542e-09 ] [ 1.101892805295986e-09 4.227307766095143e-10 -9.836632256996295e-10 ] [ -4.35442798397798e-09 8.547886244170156e-10 2.739627813582697e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.641463 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.588868240410823e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5487791 0.8534596 1.4627268 ] [ 2.0371287 2.6521428 3.0181186 ] [ 2.5648029 0.0478247 3.7577065 ] [ 2.2906056 1.8633908 5.203191 ] [ 4.6698171 0.2965176 2.5646754 ] [ 4.2002904 2.6137836 1.9065779 ] [ 4.4209192 2.0262235 4.2565448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5487791e-10 8.534596e-11 1.4627268e-10 ] [ 2.0371287e-10 2.6521428e-10 3.0181186e-10 ] [ 2.5648029e-10 4.78247e-12 3.7577065e-10 ] [ 2.2906056e-10 1.8633908e-10 5.203191e-10 ] [ 4.6698171e-10 2.965176e-11 2.5646754e-10 ] [ 4.2002904e-10 2.6137836e-10 1.9065779e-10 ] [ 4.4209192e-10 2.0262235e-10 4.2565448e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-06 7.8e-06 -2.51e-05 ] [ -7.46e-05 3.76e-05 3.78e-05 ] [ -3.21e-05 -6.05e-05 8e-05 ] [ -5.69e-05 3.68e-05 8.07e-05 ] [ 0.0001135 -9.98e-05 -5.83e-05 ] [ 9.19e-05 0.0001022 -9.67e-05 ] [ -4.29e-05 -2.4e-05 -1.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92261194496e-15 1.249697764224e-14 -4.021463318208e-14 ] [ -1.1952237591168e-13 6.024184094208e-14 6.056227626623999e-14 ] [ -5.142986952768e-14 -9.69316855584e-14 1.28174129664e-13 ] [ -9.116384972352e-14 5.896009964544001e-14 1.2929565329856e-13 ] [ 1.818470464608e-13 -1.5989722675584e-13 -9.340689699264e-14 ] [ 1.4724003145152e-13 1.6374245064576e-13 -1.5493047923136e-13 ] [ -6.873337703232e-14 -3.84522388992e-14 -2.948004982272e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.25324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.16753870730514e-18 } }