{ "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" [ [ 0.1139215 0.7675217 1.173379 ] [ 0.3197986 0.4128002 2.663942 ] [ 1.547269 0.0076724 0.5415715 ] [ 1.777725 2.329132 1.457723 ] [ 2.606996 1.505358 2.342036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.139215e-11 7.675217e-11 1.173379e-10 ] [ 3.197986e-11 4.128002e-11 2.663942e-10 ] [ 1.547269e-10 7.672400000000001e-13 5.415715e-11 ] [ 1.777725e-10 2.329132e-10 1.457723e-10 ] [ 2.606996e-10 1.505358e-10 2.342036e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -46.9681839 22.0033889 -49.9934998 ] [ -2.8021585 -22.8805989 66.0617371 ] [ 26.5141463 -24.9449797 -20.384991 ] [ -31.0374287 62.0696456 -46.4900814 ] [ 54.2936247 -36.2474559 50.8068351 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.525132616601497e-08 3.525331527395023e-08 -8.009841657152948e-08 ] [ -4.489552836475997e-09 -3.665876062748219e-08 1.05842570711056e-07 ] [ 4.248034532233083e-08 -3.99662632816706e-08 -3.266035599541842e-08 ] [ -4.972744263288694e-08 9.944653504166159e-08 -7.448532151816895e-08 ] [ 8.698797615282942e-08 -5.807482640645902e-08 8.140152337406083e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 52.687481 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.44146502670442e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.965499 -0.3617406 0.737484 ] [ -0.2590215 0.6027929 2.5937781 ] [ 1.1135931 0.003267 0.0898661 ] [ 2.4951327 2.6926813 1.9031311 ] [ 3.9815048 2.0854837 2.8543922 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.65499e-11 -3.617406e-11 7.374840000000001e-11 ] [ -2.590215e-11 6.027929e-11 2.593778100000001e-10 ] [ 1.1135931e-10 3.267e-13 8.98661e-12 ] [ 2.4951327e-10 2.6926813e-10 1.9031311e-10 ] [ 3.9815048e-10 2.0854837e-10 2.8543922e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-07 -4e-07 -6e-07 ] [ 2.6e-06 -7e-07 -3.7e-06 ] [ -2.1e-06 1.1e-06 4.2e-06 ] [ 7.1e-06 -2.9e-06 4.6e-06 ] [ -7.1e-06 2.9e-06 -4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-16 -6.408706483200001e-16 -9.6130597248e-16 ] [ 4.16565921408e-15 -1.12152363456e-15 -5.928053496960001e-15 ] [ -3.36457090368e-15 1.76239428288e-15 6.72914180736e-15 ] [ 1.137545400768e-14 -4.646312200320001e-15 7.370012455680001e-15 ] [ -1.137545400768e-14 4.646312200320001e-15 -7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.135307 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.065814150723059e-18 } }