{ "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" [ [ 1.63984 2.632724 3.733643 ] [ 2.059322 3.100925 1.548727 ] [ 0.4497259 4.960249 3.35449 ] [ 2.730005 4.489518 3.533282 ] [ 4.056337 2.434117 2.913545 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.63984e-10 2.632724e-10 3.733643e-10 ] [ 2.059322e-10 3.100925e-10 1.548727e-10 ] [ 4.497259e-11 4.960249e-10 3.35449e-10 ] [ 2.730005e-10 4.489518e-10 3.533282e-10 ] [ 4.056337e-10 2.434117e-10 2.913545e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.8002427 -7.4532885 5.9681187 ] [ -1.4958036 -2.3516497 -10.4605276 ] [ -4.5712232 3.9663434 0.7812138 ] [ 4.5720279 9.5764983 4.1828337 ] [ 7.2952416 -3.7379034 -0.4716386 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.293013248905868e-09 -1.19414845827775e-08 9.561980251299288e-09 ] [ -2.396541557228475e-09 -3.767758169651334e-09 -1.675961276195313e-08 ] [ -7.323906939498563e-09 6.354782665544383e-09 1.251642486206327e-09 ] [ 7.325196211025321e-09 1.534324168539095e-08 6.701638362834361e-09 ] [ 1.168826553460758e-08 -5.988781438288831e-09 -7.556483383868429e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 0.77725081 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.245293076279863e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3678844 2.6694865 2.9651157 ] [ 2.310018 1.8677564 1.883277 ] [ 0.9396963 4.6516143 4.1180398 ] [ 3.2353479 5.0746297 3.7491572 ] [ 4.0822834 3.3540462 2.3680974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.678844e-11 2.6694865e-10 2.9651157e-10 ] [ 2.310018e-10 1.8677564e-10 1.883277e-10 ] [ 9.396963e-11 4.6516143e-10 4.1180398e-10 ] [ 3.2353479e-10 5.0746297e-10 3.7491572e-10 ] [ 4.0822834e-10 3.3540462e-10 2.3680974e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.2e-06 1.21e-05 -5.9e-06 ] [ 8.3e-06 -4.6e-06 9.5e-06 ] [ 9.4e-06 -1.24e-05 -1.7e-06 ] [ 5e-07 -6e-07 -5e-07 ] [ -1.5e-05 5.6e-06 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.126965186560001e-15 1.938633711168e-14 -9.45284206272e-15 ] [ 1.329806595264e-14 -7.370012455680001e-15 1.52206778976e-14 ] [ 1.506046023552e-14 -1.986699009792e-14 -2.72370025536e-15 ] [ 8.010883104e-16 -9.6130597248e-16 -8.010883104e-16 ] [ -2.4032649312e-14 8.972189076479999e-15 -2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }