{ "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" [ [ 0.0140975 0.5833675 2.011711 ] [ 0.3860738 2.863563 1.325373 ] [ 1.128451 1.622429 0.5509609 ] [ 2.086312 0.6042059 2.517228 ] [ 2.318087 2.883056 0.8671461 ] [ 2.902063 1.818717 2.74846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.40975e-12 5.833675e-11 2.011711e-10 ] [ 3.860738e-11 2.863563e-10 1.325373e-10 ] [ 1.128451e-10 1.622429e-10 5.509609e-11 ] [ 2.086312e-10 6.042059e-11 2.517228e-10 ] [ 2.318087e-10 2.883056e-10 8.671461e-11 ] [ 2.902063e-10 1.818717e-10 2.74846e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.0251389 -9.0947169 5.8783832 ] [ -23.6972527 21.5258493 8.0911018 ] [ -3.1975743 -20.672338 -25.5200105 ] [ -1.4110398 -25.3591919 6.0067815 ] [ 23.7209037 18.0467107 -5.1665176 ] [ 17.610102 15.5536868 10.7102616 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.086857302825263e-08 -1.457134278997465e-08 9.418208131143491e-09 ] [ -3.796718425312968e-08 3.448821249132405e-08 1.29633741404728e-08 ] [ -5.123078786730925e-09 -3.312073664087543e-08 -4.088756418567052e-08 ] [ -2.260734978578308e-09 -4.062990438456073e-08 9.623924885553954e-09 ] [ 3.800507733238822e-08 2.89140179658812e-08 -8.277673709671725e-09 ] [ 2.821449371430333e-08 2.491975335820557e-08 1.7159730738172e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.540022 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.009133007271766e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3175661 0.7997602 2.1360857 ] [ -0.0841725 3.0089161 1.1963372 ] [ 1.6434796 1.1805584 0.4227723 ] [ 1.8756125 0.0267309 2.7766717 ] [ 2.2532589 3.6012289 1.2561366 ] [ 3.464472 1.7581438 2.2328755 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.175661e-11 7.997602000000001e-11 2.1360857e-10 ] [ -8.41725e-12 3.0089161e-10 1.1963372e-10 ] [ 1.6434796e-10 1.1805584e-10 4.227723e-11 ] [ 1.8756125e-10 2.67309e-12 2.7766717e-10 ] [ 2.2532589e-10 3.6012289e-10 1.2561366e-10 ] [ 3.464472e-10 1.7581438e-10 2.2328755e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.68e-05 1.8e-05 -3.21e-05 ] [ 1.68e-05 -1.33e-05 -3e-07 ] [ -3.48e-05 -1.81e-05 4.13e-05 ] [ 1.47e-05 7.7e-06 -1.18e-05 ] [ 1.5e-05 -2.25e-05 2.38e-05 ] [ -2.85e-05 2.83e-05 -2.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.691656722944e-14 2.88391791744e-14 -5.142986952768e-14 ] [ 2.691656722944e-14 -2.130894905664e-14 -4.8065298624e-16 ] [ -5.575574640383999e-14 -2.899939683648e-14 6.616989443904001e-14 ] [ 2.355199632576e-14 1.233675998016e-14 -1.890568412544e-14 ] [ 2.4032649312e-14 -3.604897396800001e-14 3.813180357504e-14 ] [ -4.56620336928e-14 4.534159836864e-14 -3.348549137472e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.712533 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.517425302614849e-18 } }