{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5622293 -4.8953443 -3.470912 ] [ -2.1424026 -6.1258482 10.2581158 ] [ -8.2253188 3.8936706 -3.6728419 ] [ 2.8877575 -0.7713135 -8.9790942 ] [ 4.5277328 -1.4851582 2.9553713 ] [ 3.4108371 2.6557964 -4.0008572 ] [ 3.1036233 6.7281973 6.9102182 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.707320502388749e-09 -7.84320618822654e-09 -5.56101405925417e-09 ] [ -3.432507358061134e-09 -9.814690768609764e-09 1.643531330821909e-08 ] [ -1.317841347998671e-08 6.238348004416308e-09 -5.884541424074651e-09 ] [ 4.626697553039856e-09 -1.235780457007421e-09 -1.438609480320088e-08 ] [ 7.254227637389323e-09 -2.379485746229411e-09 4.735026802643303e-09 ] [ 5.464763458977272e-09 4.255054901684805e-09 -6.410079868999349e-09 ] [ 4.972552691030145e-09 1.077976041418968e-08 1.107139004466666e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.904343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.227721328218414e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9541471 1.5973843 2.5931246 ] [ 2.7131924 1.656441 4.8653964 ] [ 1.4631048 3.9397252 2.716352 ] [ 4.1925336 2.0597808 1.7823467 ] [ 5.039838 2.1370719 4.0226516 ] [ 3.7897447 4.4203525 1.8735615 ] [ 3.4209393 4.1891864 4.4935742 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9541471e-10 1.5973843e-10 2.5931246e-10 ] [ 2.7131924e-10 1.656441e-10 4.8653964e-10 ] [ 1.4631048e-10 3.9397252e-10 2.716352e-10 ] [ 4.1925336e-10 2.0597808e-10 1.7823467e-10 ] [ 5.039838e-10 2.1370719e-10 4.0226516e-10 ] [ 3.7897447e-10 4.4203525e-10 1.8735615e-10 ] [ 3.4209393e-10 4.1891864e-10 4.4935742e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.43e-05 -2.6e-06 -1.4e-05 ] [ -1.58e-05 -1.52e-05 1.38e-05 ] [ 7.83e-05 -3.4e-06 -1.8e-06 ] [ 7.9e-06 -1.15e-05 -8.8e-06 ] [ 1.39e-05 1.67e-05 -3.26e-05 ] [ -4.21e-05 -2.93e-05 7.83e-05 ] [ -1.78e-05 4.53e-05 -3.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.893289188544e-14 -4.16565921408e-15 -2.24304726912e-14 ] [ -2.531439060864e-14 -2.435308463616e-14 2.211003736704e-14 ] [ 1.2545042940864e-13 -5.44740051072e-15 -2.88391791744e-15 ] [ 1.265719530432e-14 -1.84250311392e-14 -1.409915426304e-14 ] [ 2.227025502912e-14 2.675634956736e-14 -5.223095783807999e-14 ] [ -6.745163573568001e-14 -4.694377498944e-14 1.2545042940864e-13 ] [ -2.851874385024e-14 7.257860092224001e-14 -5.591596406592e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.968507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.039089844688114e-18 } }