{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0782686 -0.2992405 -0.6212883 ] [ -3.0981893 -0.8208815 1.4472866 ] [ -5.4083882 1.2237 -0.6749007 ] [ 2.2069956 -3.8198573 -2.0476289 ] [ 0.8616052 -1.7895268 1.6231488 ] [ 3.9612705 2.9006096 -2.5313766 ] [ 1.5549749 2.6051965 2.804759 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.254001210627469e-10 -4.794361330965024e-10 -9.954135890365766e-10 ] [ -4.963846463272717e-09 -1.315197147747235e-09 2.318808754117121e-09 ] [ -8.665193130250594e-09 1.96058353087296e-09 -1.081310122901555e-09 ] [ 3.535996752528469e-09 -6.120086060852212e-09 -3.280663151654421e-09 ] [ 1.380443707799708e-09 -2.867138001255037e-09 2.600571059439575e-09 ] [ 6.346654983764726e-09 4.64728888718804e-09 -4.055712406960194e-09 ] [ 2.491344430710818e-09 4.173984924889987e-09 4.493719296778387e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.59668 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.819298929969894e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4400442 1.2205123 1.491235 ] [ 1.1494869 1.8355794 3.8971878 ] [ 1.3643558 3.6741126 1.9659661 ] [ 3.8601322 1.1659334 1.7085618 ] [ 3.5744326 1.2686916 4.1199602 ] [ 3.8464424 3.5961063 1.6752283 ] [ 3.0502579 3.7121853 4.0424978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4400442e-10 1.2205123e-10 1.491235e-10 ] [ 1.1494869e-10 1.8355794e-10 3.8971878e-10 ] [ 1.3643558e-10 3.6741126e-10 1.9659661e-10 ] [ 3.8601322e-10 1.1659334e-10 1.7085618e-10 ] [ 3.574432600000001e-10 1.2686916e-10 4.119960200000001e-10 ] [ 3.8464424e-10 3.5961063e-10 1.6752283e-10 ] [ 3.0502579e-10 3.7121853e-10 4.0424978e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.15e-05 -2.72e-05 2.7e-05 ] [ -0.0 1.84e-05 -3e-05 ] [ -2.08e-05 2.98e-05 2.22e-05 ] [ 2.98e-05 -3.7e-06 -6.9e-06 ] [ -2.98e-05 1.8e-05 3.3e-06 ] [ 1.2e-06 5.2e-06 -4.16e-05 ] [ 8.2e-06 -4.04e-05 2.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.84250311392e-14 -4.357920408576e-14 4.32587687616e-14 ] [ 0.0 2.948004982272e-14 -4.8065298624e-14 ] [ -3.332527371264e-14 4.774486329984001e-14 3.556832098176e-14 ] [ 4.774486329984001e-14 -5.928053496960001e-15 -1.105501868352e-14 ] [ -4.774486329984001e-14 2.88391791744e-14 5.28718284864e-15 ] [ 1.92261194496e-15 8.33131842816e-15 -6.665054742528e-14 ] [ 1.313784829056e-14 -6.472793548032e-14 4.16565921408e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }