{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -28.956704 -31.0946604 -33.4444476 ] [ -9.4390819 -4.4952977 2.8991799 ] [ 35.8568137 -22.7364342 30.1193964 ] [ -35.8547921 26.3981508 -25.1085355 ] [ 26.5092474 4.9313109 -19.2916684 ] [ -10.8097552 -14.359643 27.9356655 ] [ 22.6942721 41.3565737 16.8904098 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.639375454645433e-08 -4.981913833504508e-08 -5.358391248175736e-08 ] [ -1.512307646659232e-08 -7.202260937813942e-09 4.644998293542456e-09 ] [ 5.744894907983107e-08 -3.642778361571849e-08 4.825659314226372e-08 ] [ -5.744571011954779e-08 4.22945003925684e-08 -4.022830889205951e-08 ] [ 4.247249676920525e-08 7.90083109896951e-09 -3.090866034135616e-08 ] [ -1.73191372007e-08 -2.300668448718166e-08 4.475787051933992e-08 ] [ 3.63602324842581e-08 6.626053604443892e-08 2.706141992024461e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.24748 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.60085994138232e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5648437 2.4269377 1.1078908 ] [ 0.8479504 2.0698406 3.0549677 ] [ 3.6202206 3.5320318 4.951283 ] [ 1.3862534 4.4233233 3.908902 ] [ 5.1254824 2.3604023 1.9454948 ] [ 3.3238066 1.366176 3.5823504 ] [ 3.6052559 4.4894772 2.4544712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5648437e-10 2.4269377e-10 1.1078908e-10 ] [ 8.479504e-11 2.0698406e-10 3.0549677e-10 ] [ 3.6202206e-10 3.5320318e-10 4.951283e-10 ] [ 1.3862534e-10 4.4233233e-10 3.908902e-10 ] [ 5.125482400000001e-10 2.3604023e-10 1.9454948e-10 ] [ 3.3238066e-10 1.366176e-10 3.5823504e-10 ] [ 3.6052559e-10 4.4894772e-10 2.4544712e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.13e-05 5.16e-05 4.89e-05 ] [ -7e-06 -3.99e-05 4.59e-05 ] [ -3.38e-05 -1.06e-05 -1e-06 ] [ 1.29e-05 -1e-07 -3.47e-05 ] [ -7.69e-05 -2.73e-05 2.2e-06 ] [ 3.1e-05 9.36e-05 -6.81e-05 ] [ 1.23e-05 -6.72e-05 6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.821342766419999e-14 8.267231431439999e-14 7.834643740259999e-14 ] [ -1.1215236438e-14 -6.392684769659999e-14 7.353990750059999e-14 ] [ -5.415357022919999e-14 -1.69830723204e-14 -1.602176634e-15 ] [ 2.06680785786e-14 -1.602176634e-16 -5.55955291998e-14 ] [ -1.232073831546e-13 -4.37394221082e-14 3.5247885948e-15 ] [ 4.966747565399999e-14 1.499637329424e-13 -1.091082287754e-13 ] [ 1.97067725982e-14 -1.076662698048e-13 1.08948011112e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.607675 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.942584190206595e-18 } }