{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6982737 -3.7258462 -2.1928444 ] [ -0.956186 -2.1590408 5.0170642 ] [ 1.0584364 3.9944794 -4.1017999 ] [ -1.6747294 1.9718539 0.620101 ] [ 0.5332661 -0.0960372 -1.2182881 ] [ -1.1867836 -2.3164081 0.9775725 ] [ 1.5277227 2.330999 0.8981947 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.118757806276726e-09 -5.96946372351769e-09 -3.513324059677749e-09 ] [ -1.531978866957924e-09 -3.459164721612667e-09 8.038223032517901e-09 ] [ 1.695802068655077e-09 6.39986155967434e-09 -6.571807957123535e-09 ] [ -2.68321231295284e-09 3.159258244241772e-09 9.93511332920034e-10 ] [ 8.543864851243072e-10 -1.538685578347848e-10 -1.951912727300255e-09 ] [ -1.901436953534402e-09 -3.711294932628335e-09 1.566243817540965e-09 ] [ 2.447681613171391e-09 3.734672131677365e-09 1.43906656112264e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.06367306491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.41346650068242e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6677445 1.522414 2.3516526 ] [ 2.4821736 2.6146084 4.4534746 ] [ 2.4770709 4.0763676 2.2618428 ] [ 4.6938043 2.7852768 1.7656402 ] [ 4.9251823 2.8745145 4.1732584 ] [ 4.7517323 5.2302981 2.0139521 ] [ 3.8900481 5.1195426 4.2253353 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6677445e-10 1.522414e-10 2.3516526e-10 ] [ 2.4821736e-10 2.6146084e-10 4.4534746e-10 ] [ 2.4770709e-10 4.0763676e-10 2.2618428e-10 ] [ 4.6938043e-10 2.7852768e-10 1.7656402e-10 ] [ 4.9251823e-10 2.8745145e-10 4.1732584e-10 ] [ 4.751732299999999e-10 5.2302981e-10 2.0139521e-10 ] [ 3.8900481e-10 5.1195426e-10 4.2253353e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.8e-06 7.7e-06 6.8e-06 ] [ 3.17e-05 1.78e-05 -2.12e-05 ] [ -6e-07 -5.4e-06 4.6e-06 ] [ -3.1e-06 -2.6e-06 4.42e-05 ] [ -1.55e-05 7.6e-06 -1.53e-05 ] [ -5e-07 2.29e-05 1.7e-06 ] [ -2.2e-06 -4.8e-05 -2.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.57013310132e-14 1.23367600818e-14 1.08948011112e-14 ] [ 5.078899929779999e-14 2.851874408519999e-14 -3.39661446408e-14 ] [ -9.613059803999998e-16 -8.6517538236e-15 7.370012516399999e-15 ] [ -4.9667475654e-15 -4.165659248399999e-15 7.08162072228e-14 ] [ -2.4833737827e-14 1.21765424184e-14 -2.45133025002e-14 ] [ -8.010883169999999e-16 3.66898449186e-14 2.7237002778e-15 ] [ -3.5247885948e-15 -7.690447843199999e-14 -3.316505632379999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }