{ "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" [ [ -0.2096469 -5.505747 -6.3481706 ] [ -5.1397078 -4.5329769 6.5151665 ] [ -2.7177824 4.0713882 2.7304718 ] [ 3.1739822 -0.5191865 -0.9298299 ] [ 2.124601 -1.1840069 0.0559167 ] [ 0.2946612 -0.2596753 -0.3870273 ] [ 2.4738927 7.9302044 -1.6365273 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.358913618031955e-10 -8.821179123439738e-09 -1.017089052016991e-08 ] [ -8.234719674903402e-09 -7.26262961180646e-09 1.043844744691936e-08 ] [ -4.354367421701714e-09 6.523082988240995e-09 4.374698081713694e-09 ] [ 5.08528007567535e-09 -8.318284721349792e-10 -1.489751727100802e-09 ] [ 3.403986050728301e-09 -1.896988174045883e-09 8.958842945228736e-11 ] [ 4.72099285696873e-10 -4.160456946592262e-10 -6.200860916713478e-10 ] [ 3.963613046307788e-09 1.270558808784529e-08 -2.622005779360948e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.592165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.017487236825603e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5930897 2.1291181 1.1820601 ] [ 2.5257393 2.1588183 5.080046 ] [ 2.0971607 3.730862 3.1181994 ] [ 4.8676387 2.6699804 2.228019 ] [ 4.8060641 3.182529 4.5751621 ] [ 5.1323753 5.0772068 1.4286404 ] [ 3.8656882 5.2745075 3.6330291 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5930897e-10 2.1291181e-10 1.1820601e-10 ] [ 2.5257393e-10 2.1588183e-10 5.080046e-10 ] [ 2.0971607e-10 3.730862e-10 3.1181994e-10 ] [ 4.8676387e-10 2.6699804e-10 2.228019e-10 ] [ 4.806064100000001e-10 3.182529e-10 4.5751621e-10 ] [ 5.132375299999999e-10 5.0772068e-10 1.4286404e-10 ] [ 3.8656882e-10 5.2745075e-10 3.6330291e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.58e-05 5.24e-05 2.19e-05 ] [ 7.3e-06 1.67e-05 2.02e-05 ] [ -4.94e-05 -2.58e-05 -1.63e-05 ] [ 2.64e-05 -5.3e-05 -2.99e-05 ] [ -2.6e-06 1.03e-05 -1.4e-05 ] [ 1e-06 -3.3e-06 1e-07 ] [ -8.4e-06 2.7e-06 1.8e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.133615681664e-14 8.395405492992e-14 3.508766799552e-14 ] [ 1.169588933184e-14 2.675634956736e-14 3.236396774016e-14 ] [ -7.914752506752001e-14 -4.133615681664e-14 -2.611547891904e-14 ] [ 4.229746278912e-14 -8.49153609024e-14 -4.790508096192e-14 ] [ -4.16565921408e-15 1.650241919424e-14 -2.24304726912e-14 ] [ 1.6021766208e-15 -5.28718284864e-15 1.6021766208e-16 ] [ -1.345828361472e-14 4.32587687616e-15 2.88391791744e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.707273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.997235543952308e-18 } }