{ "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" [ [ 1.135722 0.0671856 0.8418581 ] [ 1.330168 2.113646 0.0657344 ] [ 0.0470942 1.897018 2.992181 ] [ 2.611886 0.9021473 0.0602941 ] [ 2.88133 0.1204436 1.620481 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.135722e-10 6.71856e-12 8.418581000000001e-11 ] [ 1.330168e-10 2.113646e-10 6.57344e-12 ] [ 4.70942e-12 1.897018e-10 2.992181e-10 ] [ 2.611886e-10 9.021473000000001e-11 6.02941e-12 ] [ 2.88133e-10 1.204436e-11 1.620481e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.4114344 -10.4292587 3.495901 ] [ -18.1483584 19.9479326 -0.9014289 ] [ 0.3357273 -0.3659596 -0.7725157 ] [ 28.117544 1.82167 -29.2723539 ] [ 16.1065215 -10.9743842 27.4503976 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.231578271747288e-08 -1.6709514461415e-08 5.601050850831341e-09 ] [ -2.90768755343793e-08 3.196011124501416e-08 -1.444248308893461e-09 ] [ 5.378944310243079e-10 -5.863319152773197e-10 -1.237706593740947e-09 ] [ 4.504927163111531e-08 2.918637084812736e-09 -4.68994810543637e-08 ] [ 2.580549218971255e-08 -1.758290179291691e-08 4.398038526638442e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.8040429 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.696925219700232e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0100883 -0.2547969 1.5050211 ] [ 1.2897444 2.8660301 0.4194201 ] [ -0.0278757 1.7721286 1.9938081 ] [ 2.3666978 0.8714821 -0.1159786 ] [ 3.3675453 -0.1544034 1.7782779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0100883e-10 -2.547969e-11 1.5050211e-10 ] [ 1.2897444e-10 2.8660301e-10 4.194201e-11 ] [ -2.78757e-12 1.7721286e-10 1.9938081e-10 ] [ 2.3666978e-10 8.714821e-11 -1.159786e-11 ] [ 3.3675453e-10 -1.544034e-11 1.7782779e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.33e-05 -1.12e-05 -2.18e-05 ] [ -5e-07 2.67e-05 -8.5e-06 ] [ 6.8e-06 -8e-07 1.16e-05 ] [ -6e-06 -2.93e-05 2.27e-05 ] [ -2.36e-05 1.46e-05 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.733071526464e-14 -1.794437815296e-14 -3.492745033344e-14 ] [ -8.010883104e-16 4.277811577536e-14 -1.36185012768e-14 ] [ 1.089480102144e-14 -1.28174129664e-15 1.858524880128e-14 ] [ -9.6130597248e-15 -4.694377498944e-14 3.636940929216e-14 ] [ -3.781136825088e-14 2.339177866368e-14 -6.24848882112e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.846295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.218421013369993e-18 } }