{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8150406 -1.3371795 0.0604635 ] [ -4.1298893 5.1897242 0.2542013 ] [ -0.0121099 -1.8220439 1.5022884 ] [ 1.3546026 -1.2699599 -2.1416793 ] [ 3.3182144 -2.4224809 -2.4435108 ] [ 1.0227765 0.9441547 -0.1204695 ] [ -0.7385537 0.7177853 2.8887064 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.305838994322804e-09 -2.142397732713034e-09 9.68732061117408e-11 ] [ -6.616812082952078e-09 8.314854781639982e-09 4.072753798369671e-10 ] [ -1.940219866022592e-11 -2.919236138651253e-09 2.406931352179039e-09 ] [ 2.170312616194894e-09 -2.034700061133506e-09 -3.431348503711309e-09 ] [ 5.3163655344819e-09 -3.881242262314543e-09 -3.914935876432304e-09 ] [ 1.638668596603651e-09 1.512702586758438e-09 -1.930134164194656e-10 ] [ -1.183293471345337e-09 1.150018826413914e-09 4.628217858435332e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.698891 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.995892599508753e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4269335 0.7918887 1.6833672 ] [ 1.9495994 2.9324181 2.7178562 ] [ 2.8020044 -0.1472123 3.876795 ] [ 2.314402 2.0190259 4.8512291 ] [ 4.7477639 0.8381285 2.6361262 ] [ 3.9366481 2.7336433 1.3940478 ] [ 4.5549916 1.1854503 5.0101196 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4269335e-10 7.918887000000001e-11 1.6833672e-10 ] [ 1.9495994e-10 2.9324181e-10 2.7178562e-10 ] [ 2.8020044e-10 -1.472123e-11 3.876795e-10 ] [ 2.314402e-10 2.0190259e-10 4.8512291e-10 ] [ 4.7477639e-10 8.381285000000001e-11 2.6361262e-10 ] [ 3.9366481e-10 2.7336433e-10 1.3940478e-10 ] [ 4.5549916e-10 1.1854503e-10 5.010119600000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.44e-05 -2.4e-06 7e-07 ] [ -5.9e-06 -1.07e-05 2.6e-06 ] [ 5.6e-06 -1.62e-05 8.4e-06 ] [ -1.45e-05 1.59e-05 -7.5e-06 ] [ -6e-06 -6.3e-06 -1.13e-05 ] [ 2.24e-05 1.93e-05 1.7e-06 ] [ 1.27e-05 4e-07 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.307134333952e-14 -3.84522388992e-15 1.12152363456e-15 ] [ -9.45284206272e-15 -1.714328984256e-14 4.16565921408e-15 ] [ 8.972189076479999e-15 -2.595526125696e-14 1.345828361472e-14 ] [ -2.32315610016e-14 2.547460827072e-14 -1.2016324656e-14 ] [ -9.6130597248e-15 -1.009371271104e-14 -1.810459581504e-14 ] [ 3.588875630592e-14 3.092200878144e-14 2.72370025536e-15 ] [ 2.034764308416e-14 6.408706483200001e-16 8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.813838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.494962125351863e-18 } }