{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 7.0700676 5.147026 -2.4950211 ] [ 3.9842284 -3.9899769 -0.4901001 ] [ 4.6455208 0.2817068 8.3599185 ] [ -7.3693467 5.4012468 3.1265193 ] [ -2.3538437 3.0946279 -4.9244396 ] [ -8.1511134 -6.1287743 3.0027916 ] [ 2.1744869 -3.8058563 -6.5796685 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.132749701619557e-08 8.246444723849742e-09 -3.997464474822699e-09 ] [ 6.383437594407391e-09 -6.392647706712059e-09 -7.85226922071742e-10 ] [ 7.442944817200113e-09 4.513440488803814e-10 1.33940659724934e-08 ] [ -1.180699499330963e-08 8.653751346130813e-09 5.009236126939982e-09 ] [ -3.771273345157369e-09 4.958140471455401e-09 -7.889821997661705e-09 ] [ -1.30595233229696e-08 -9.819378897619886e-09 4.811002498654625e-09 ] [ 3.483912073415867e-09 -6.097653985984391e-09 -1.05417910433142e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -37.68901 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.038445068309742e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3520893 2.3924456 3.5312573 ] [ 2.2295894 4.5438028 3.0590623 ] [ 2.9182203 3.1109016 1.523863 ] [ 4.4755403 2.3777964 2.9035822 ] [ 3.9110384 1.6574836 4.9165263 ] [ 4.3489268 4.5291814 2.4326079 ] [ 3.7855725 3.8134796 4.4417649 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3520893e-10 2.3924456e-10 3.5312573e-10 ] [ 2.2295894e-10 4.5438028e-10 3.0590623e-10 ] [ 2.9182203e-10 3.1109016e-10 1.523863e-10 ] [ 4.4755403e-10 2.3777964e-10 2.9035822e-10 ] [ 3.9110384e-10 1.6574836e-10 4.9165263e-10 ] [ 4.3489268e-10 4.5291814e-10 2.4326079e-10 ] [ 3.7855725e-10 3.8134796e-10 4.4417649e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.15e-05 -4.28e-05 1.6e-06 ] [ 2.02e-05 -2.17e-05 7.5e-05 ] [ 3.5e-06 -2.4e-06 3.1e-05 ] [ 3.34e-05 -3.38e-05 4.27e-05 ] [ -3.3e-05 2.14e-05 -1.86e-05 ] [ 4.86e-05 9.34e-05 -8.24e-05 ] [ -3.12e-05 -1.41e-05 -4.93e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.64903297632e-14 -6.857315937023999e-14 2.56348259328e-15 ] [ 3.236396774016e-14 -3.476723267136e-14 1.2016324656e-13 ] [ 5.6076181728e-15 -3.84522388992e-15 4.96674752448e-14 ] [ 5.351269913472e-14 -5.415356978304e-14 6.841294170816001e-14 ] [ -5.28718284864e-14 3.428657968511999e-14 -2.980048514688e-14 ] [ 7.786578377088e-14 1.4964329638272e-13 -1.3201935355392e-13 ] [ -4.998791056896e-14 -2.259069035328e-14 -7.898730740544e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }