{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3877824 -16.4346764 2.2217067 ] [ -9.7282017 12.6497605 -4.5297901 ] [ -0.2709204 1.6757094 5.0410334 ] [ -0.030418 -0.3833808 0.1853954 ] [ 11.998881 1.7969352 -2.8230952 ] [ 0.4184416 0.6956521 -0.0952503 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.825649136837714e-09 -2.633125429849351e-08 3.559566533014719e-09 ] [ -1.558629732616681e-08 2.026715053181932e-08 -7.257523795351293e-09 ] [ -4.340623309777843e-10 2.684782423934795e-09 8.076625858151935e-09 ] [ -4.87350084514944e-11 -6.142437546236007e-10 2.970361754838643e-10 ] [ 1.922432661396133e-08 2.879007566532572e-09 -4.5230971277327e-09 ] [ 6.704173486901454e-10 1.114557530830424e-09 -1.526078037841862e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5764464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.374098191162433e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6244552 0.624998 0.4680347 ] [ -0.0340366 3.0438101 0.7854255 ] [ 0.4117057 2.856181 3.1400619 ] [ 1.0702054 0.4373737 2.8226693 ] [ 2.3685874 2.4439845 0.282806 ] [ 2.8143322 2.25637 2.6374409 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.244552e-11 6.24998e-11 4.680347e-11 ] [ -3.40366e-12 3.0438101e-10 7.854255e-11 ] [ 4.117057e-11 2.856181e-10 3.1400619e-10 ] [ 1.0702054e-10 4.373737e-11 2.8226693e-10 ] [ 2.3685874e-10 2.4439845e-10 2.82806e-11 ] [ 2.8143322e-10 2.25637e-10 2.6374409e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.1e-06 -7.7e-06 2.6e-06 ] [ 1.6e-06 3.7e-06 9.3e-06 ] [ -4.1e-06 1.96e-05 -2e-06 ] [ 8.6e-06 -5.5e-06 -6.5e-06 ] [ -3.1e-06 2.2e-06 -7e-07 ] [ -1.2e-05 -1.23e-05 -2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.457980724928e-14 -1.233675998016e-14 4.16565921408e-15 ] [ 2.56348259328e-15 5.928053496960001e-15 1.490024257344e-14 ] [ -6.568924145279999e-15 3.140266176767999e-14 -3.2043532416e-15 ] [ 1.377871893888e-14 -8.8119714144e-15 -1.04141480352e-14 ] [ -4.96674752448e-15 3.52478856576e-15 -1.12152363456e-15 ] [ -1.92261194496e-14 -1.970677243584e-14 -4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.807034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.532566031899071e-18 } }