{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.8840025 -8.5893919 -6.6852187 ] [ -7.5175081 10.0540756 5.4093614 ] [ -0.8664167 -3.4182295 4.0044786 ] [ -0.1852865 0.2655714 -2.8712958 ] [ 0.5993702 1.2445051 0.6635156 ] [ 1.3193269 -0.9635227 -2.2566738 ] [ 1.7665117 1.4069921 1.7358327 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.825034621428752e-09 -1.376172288906889e-08 -1.071090110607497e-08 ] [ -1.204437572449463e-08 1.610840487007573e-08 8.666752368537957e-09 ] [ -1.388152580610687e-09 -5.476607389428874e-09 6.415881991413915e-09 ] [ -2.968616984498592e-10 4.254922882331252e-10 -4.600323002161232e-09 ] [ 9.602969216442202e-10 1.993916975686366e-09 1.063069181856085e-09 ] [ 2.11379471437254e-09 -1.543733543550092e-09 -3.615590003131895e-09 ] [ 2.830263746109663e-09 2.254249848270296e-09 2.78111056956014e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.385323 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.945653467645652e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5888268 1.4527426 1.5555332 ] [ 1.5265151 3.0385396 3.0936698 ] [ 2.4789189 1.661753 4.7923123 ] [ 2.6236965 3.7560607 0.9810899 ] [ 4.2813837 3.1565017 5.1838825 ] [ 4.3220983 1.6901569 3.1764546 ] [ 3.7879788 4.1497284 3.0491036 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5888268e-10 1.4527426e-10 1.5555332e-10 ] [ 1.5265151e-10 3.0385396e-10 3.0936698e-10 ] [ 2.4789189e-10 1.661753e-10 4.7923123e-10 ] [ 2.6236965e-10 3.7560607e-10 9.810899e-11 ] [ 4.2813837e-10 3.1565017e-10 5.183882500000001e-10 ] [ 4.322098300000001e-10 1.6901569e-10 3.1764546e-10 ] [ 3.7879788e-10 4.1497284e-10 3.0491036e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.12e-05 2.38e-05 1.9e-06 ] [ 5.4e-06 -4.74e-05 -2.44e-05 ] [ 2.87e-05 -1.15e-05 -1.4e-05 ] [ 8e-07 -3.4e-06 -9.5e-06 ] [ -1.4e-05 3.52e-05 1.09e-05 ] [ -1.46e-05 -9e-06 1.07e-05 ] [ 4.49e-05 1.23e-05 2.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.203144298496001e-14 3.813180357504e-14 3.04413557952e-15 ] [ 8.65175375232e-15 -7.594317182591999e-14 -3.909310954752e-14 ] [ 4.598246901696e-14 -1.84250311392e-14 -2.24304726912e-14 ] [ 1.28174129664e-15 -5.44740051072e-15 -1.52206778976e-14 ] [ -2.24304726912e-14 5.639661705216e-14 1.746372516672e-14 ] [ -2.339177866368e-14 -1.44195895872e-14 1.714328984256e-14 ] [ 7.193773027392e-14 1.970677243584e-14 3.893289188544e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.639617 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.467048844046624e-18 } }