{ "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" [ [ 0.9136055 0.1992462 0.0711002 ] [ 0.7203108 0.3740979 2.589381 ] [ 1.027468 2.872573 2.429267 ] [ 2.566191 2.896163 0.5924317 ] [ 2.633567 2.125326 2.686178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.136055e-11 1.992462e-11 7.11002e-12 ] [ 7.203108000000001e-11 3.740979e-11 2.589381e-10 ] [ 1.027468e-10 2.872573e-10 2.429267e-10 ] [ 2.566191e-10 2.896163e-10 5.924317e-11 ] [ 2.633567e-10 2.125326e-10 2.686178e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3402934 0.2631368 5.6984834 ] [ -1.0569093 -2.3965917 -6.3131743 ] [ -20.9430685 10.8096898 -2.6204251 ] [ -0.1454052 0.3960469 -2.8338804 ] [ 22.4856763 -9.0722818 6.0689964 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.452101296925427e-10 4.215916290321255e-10 9.129976877496894e-09 ] [ -1.693355370766094e-09 -3.839763191343328e-09 -1.011482026649541e-08 ] [ -3.355449471851293e-08 1.731903227566023e-08 -4.198383831777502e-09 ] [ -2.329648119827482e-10 6.345370839203155e-10 -4.540376923023352e-09 ] [ 3.602602487073665e-08 -1.453539779726934e-08 9.723604143799365e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.9372967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.512597963492992e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8498068 -0.0680922 0.2637231 ] [ 0.1735406 -0.7349196 1.8702442 ] [ 1.2715682 3.8187636 2.5395696 ] [ 2.3102815 2.7348329 0.8006042 ] [ 3.2559452 2.7168214 2.8942168 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.498068e-11 -6.809220000000001e-12 2.637231e-11 ] [ 1.735406e-11 -7.349196e-11 1.8702442e-10 ] [ 1.2715682e-10 3.8187636e-10 2.5395696e-10 ] [ 2.3102815e-10 2.7348329e-10 8.006042e-11 ] [ 3.2559452e-10 2.7168214e-10 2.8942168e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.16e-05 -8.63e-05 0.000176 ] [ 4.9e-05 1.61e-05 -0.0002109 ] [ -6.94e-05 9.01e-05 7.3e-06 ] [ -1.4e-05 -3.18e-05 -3.44e-05 ] [ 0.000126 1.19e-05 6.2e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.4675937846528e-13 -1.3826784237504e-13 2.819830852608e-13 ] [ 7.85066544192e-14 2.579504359488e-14 -3.3789904932672e-13 ] [ -1.1119105748352e-13 1.4435611353408e-13 1.169588933184e-14 ] [ -2.24304726912e-14 -5.094921654144e-14 -5.511487575552001e-14 ] [ 2.018742542208e-13 1.906590178752e-14 9.93349504896e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.166834 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.070865332955455e-18 } }