{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.271043 -2.2988424 -2.276871 ] [ -1.5638575 -2.3972151 3.4557254 ] [ 7.8603061 2.6243058 -0.4168729 ] [ 0.301298 1.5560663 1.4732605 ] [ 3.4716318 -0.4031908 -4.3890971 ] [ 2.5046911 2.7225839 2.4046983 ] [ -8.3030265 -1.8037077 -0.2508432 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.842965241031494e-09 -3.683151548183762e-09 -3.647949484777517e-09 ] [ -2.505575924762736e-09 -3.840761988248734e-09 5.536682443784729e-09 ] [ 1.259359866575163e-08 4.204601398589841e-09 -6.679040142250963e-10 ] [ 4.827326114937984e-10 2.493093046274759e-09 2.360423529448119e-09 ] [ 5.562167305985821e-09 -6.459828734816487e-10 -7.03210876004108e-09 ] [ 4.012957522745835e-09 4.362060272746486e-09 3.852751396337505e-09 ] [ -1.330291494018285e-08 -2.88985830769694e-09 -4.018951105266586e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.668785 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.189980776174173e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3801854 2.116816 2.0436787 ] [ 2.3882507 1.623967 4.3785723 ] [ 2.4026762 4.295005 2.3770305 ] [ 2.1628083 4.1714536 4.791219 ] [ 3.6487509 1.0620006 2.1862848 ] [ 4.4313739 3.1166558 4.9338402 ] [ 4.6210226 3.2635381 2.5164955 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3801854e-10 2.116816e-10 2.0436787e-10 ] [ 2.3882507e-10 1.623967e-10 4.3785723e-10 ] [ 2.4026762e-10 4.295005e-10 2.3770305e-10 ] [ 2.1628083e-10 4.171453600000001e-10 4.791219e-10 ] [ 3.6487509e-10 1.0620006e-10 2.1862848e-10 ] [ 4.4313739e-10 3.1166558e-10 4.9338402e-10 ] [ 4.6210226e-10 3.2635381e-10 2.5164955e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.61e-05 2.01e-05 3.43e-05 ] [ -2.56e-05 -1.35e-05 -9e-06 ] [ 2.1e-06 -2.23e-05 1.4e-06 ] [ -7.4e-06 2.2e-06 -2.48e-05 ] [ 1.4e-06 4.81e-05 3.69e-05 ] [ 1.07e-05 -3.4e-05 -1.74e-05 ] [ -3.74e-05 -8e-07 -2.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.988210842688002e-14 3.220375007808e-14 5.495465809344e-14 ] [ -4.101572149248001e-14 -2.16293843808e-14 -1.44195895872e-14 ] [ 3.36457090368e-15 -3.572853864384e-14 2.24304726912e-15 ] [ -1.185610699392e-14 3.52478856576e-15 -3.973398019584e-14 ] [ 2.24304726912e-15 7.706469546047999e-14 5.912031730752001e-14 ] [ 1.714328984256e-14 -5.44740051072e-14 -2.787787320192e-14 ] [ -5.992140561792e-14 -1.28174129664e-15 -3.44467973472e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.735789 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.841586648724181e-18 } }