{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.1035545 -10.4204868 0.2533289 ] [ -7.1556366 10.6352915 -1.003737 ] [ -0.0715524 0.5479996 6.5199352 ] [ 3.5608363 -2.8085788 -8.9028078 ] [ 12.7699073 2.0457745 3.1332808 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.458550218607863e-08 -1.669546032831501e-08 4.058776409529812e-10 ] [ -1.14645936674608e-08 1.703961539669296e-08 -1.60816395483193e-09 ] [ -1.146395824421299e-10 8.779921473277517e-10 1.044608774657097e-08 ] [ 5.705088670355976e-09 -4.499839291034519e-09 -1.426387051663588e-08 ] [ 2.045964692584325e-08 3.27769207532881e-09 5.02006924416152e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.77300327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.23848776699595e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.070722 0.3160482 2.0829239 ] [ 2.1006713 3.5718371 1.622629 ] [ 2.7070188 2.1889079 3.6259164 ] [ 3.3284102 1.7325205 0.4381982 ] [ 4.8817478 1.9942632 2.3906147 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.070722e-10 3.160482e-11 2.0829239e-10 ] [ 2.1006713e-10 3.5718371e-10 1.622629e-10 ] [ 2.7070188e-10 2.1889079e-10 3.6259164e-10 ] [ 3.3284102e-10 1.7325205e-10 4.381982e-11 ] [ 4.881747800000001e-10 1.9942632e-10 2.3906147e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 -3e-06 2.9e-06 ] [ -1e-06 7e-07 1.9e-06 ] [ -1.2e-06 2.7e-06 -1.3e-06 ] [ -2e-07 2.1e-06 -6.6e-06 ] [ 1.8e-06 -2.5e-06 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-16 -4.8065298624e-15 4.646312200320001e-15 ] [ -1.6021766208e-15 1.12152363456e-15 3.04413557952e-15 ] [ -1.92261194496e-15 4.32587687616e-15 -2.08282960704e-15 ] [ -3.2043532416e-16 3.36457090368e-15 -1.057436569728e-14 ] [ 2.88391791744e-15 -4.005441552e-15 4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -6.9990301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121368239449549e-18 } }