{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.6443708 -5.3554629 -2.8661013 ] [ -5.9092584 -1.0559962 5.0007472 ] [ -9.231817 4.7023215 -5.9311546 ] [ -1.089641 8.248728 4.719716 ] [ 3.3335698 -6.074986 -7.7309726 ] [ 11.9760007 -5.9548667 9.6303949 ] [ 8.5655166 5.4902623 -2.8226296 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.224763227739189e-08 -8.580397522633877e-09 -4.592000533537024e-09 ] [ -9.467675732748224e-09 -1.691892437232791e-09 8.012080316380924e-09 ] [ -1.479100148676398e-08 7.53394963285583e-09 -9.502757312761616e-09 ] [ -1.745797349648394e-09 1.321591926182155e-08 7.561818694315943e-09 ] [ 5.340967641368052e-09 -9.733200621077122e-09 -1.238638365781423e-08 ] [ 1.918766849030764e-08 -9.540748285324688e-09 1.542959368497277e-08 ] [ 1.372347055465912e-08 8.796369971591098e-09 -4.522351191556766e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.2124873 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.155567862508175e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7187134 1.6145777 2.4638799 ] [ 2.1522892 2.1297204 4.8473271 ] [ 1.883854 4.0423654 1.881347 ] [ 3.0065997 4.405923 4.2306436 ] [ 4.1554409 1.3383464 2.1171445 ] [ 4.6113838 1.846378 4.5190644 ] [ 4.4817721 3.8231311 2.2200506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7187134e-10 1.6145777e-10 2.4638799e-10 ] [ 2.1522892e-10 2.1297204e-10 4.8473271e-10 ] [ 1.883854e-10 4.0423654e-10 1.881347e-10 ] [ 3.0065997e-10 4.405923e-10 4.2306436e-10 ] [ 4.155440900000001e-10 1.3383464e-10 2.1171445e-10 ] [ 4.6113838e-10 1.846378e-10 4.519064400000001e-10 ] [ 4.4817721e-10 3.8231311e-10 2.2200506e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.33e-05 2.78e-05 7e-07 ] [ 4.72e-05 -2.5e-06 1.22e-05 ] [ 5.85e-05 -1.76e-05 2.3e-06 ] [ -7.68e-05 2.15e-05 1.32e-05 ] [ 3.9e-06 1.8e-06 2.28e-05 ] [ -2.9e-06 -5.3e-05 1e-06 ] [ -6.5e-06 2.2e-05 -5.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.733071557219999e-14 4.454051042519999e-14 1.1215236438e-15 ] [ 7.562273712480001e-14 -4.005441585e-15 1.95465549348e-14 ] [ 9.372733308899998e-14 -2.81983087584e-14 3.685006258199999e-15 ] [ -1.230471654912e-13 3.4446797631e-14 2.11487315688e-14 ] [ 6.248488872599999e-15 2.8839179412e-15 3.65296272552e-14 ] [ -4.6463122386e-15 -8.491536160199999e-14 1.602176634e-15 ] [ -1.0414148121e-14 3.5247885948e-14 -8.36336202948e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.346236 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.939391064104962e-18 } }