{ "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" [ [ 0.148581 1.499098 2.912634 ] [ 0.4436014 1.560152 0.6683764 ] [ 2.110053 0.4783189 0.3653162 ] [ 2.063967 1.021193 2.434749 ] [ 2.249538 2.67297 1.348927 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.48581e-11 1.499098e-10 2.912634e-10 ] [ 4.436014e-11 1.560152e-10 6.683764e-11 ] [ 2.110053e-10 4.783189e-11 3.653162e-11 ] [ 2.063967e-10 1.021193e-10 2.434749e-10 ] [ 2.249538e-10 2.67297e-10 1.348927e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.2813386 0.6478354 4.0852309 ] [ -10.9958508 3.6693457 -3.5510499 ] [ 6.4769367 -6.8950675 -6.057738 ] [ 7.9474226 -8.8459282 10.1454051 ] [ 4.8528301 11.4238146 -4.621848 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.32681670938486e-08 1.037946732006616e-09 6.545261438549743e-09 ] [ -1.761729507756498e-08 5.87893989417301e-09 -5.689409129074178e-09 ] [ 1.03771965551415e-08 -1.10471159473379e-08 -9.705566198531751e-09 ] [ 1.273317468533755e-08 -1.417273935131543e-08 1.625473085976509e-08 ] [ 7.775090930934528e-09 1.83029686724737e-08 -7.405016810491239e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.9740674 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.277586436096344e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.008582 1.2406582 2.8572933 ] [ 0.202246 1.862398 0.6027474 ] [ 2.1079359 0.4016386 0.4248202 ] [ 2.3236478 0.9894404 2.7497048 ] [ 2.3904926 2.7375967 1.0954369 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.581999999999999e-13 1.2406582e-10 2.8572933e-10 ] [ 2.02246e-11 1.862398e-10 6.027474000000001e-11 ] [ 2.1079359e-10 4.016386000000001e-11 4.248202e-11 ] [ 2.3236478e-10 9.894404e-11 2.7497048e-10 ] [ 2.3904926e-10 2.7375967e-10 1.0954369e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.2e-06 3e-06 -1.52e-05 ] [ 3.1e-05 -2.9e-06 2.52e-05 ] [ -4.2e-06 1.8e-05 1.2e-05 ] [ -1.21e-05 -5e-06 -7.9e-06 ] [ -2.1e-05 -1.31e-05 -1.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.93349504896e-15 4.8065298624e-15 -2.435308463616e-14 ] [ 4.96674752448e-14 -4.646312200320001e-15 4.037485084416e-14 ] [ -6.72914180736e-15 2.88391791744e-14 1.92261194496e-14 ] [ -1.938633711168e-14 -8.010883104e-15 -1.265719530432e-14 ] [ -3.36457090368e-14 -2.098851373248e-14 -2.259069035328e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.214602 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.277430299837692e-18 } }