{ "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" [ [ 1.91701 1.98827 2.508844 ] [ 2.572173 1.794465 4.860558 ] [ 4.363165 1.510923 1.91691 ] [ 4.651171 2.095892 4.214607 ] [ 5.448722 3.893309 2.444809 ] [ 3.326625 3.729664 3.343147 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.91701e-10 1.98827e-10 2.508844e-10 ] [ 2.572173e-10 1.794465e-10 4.860558000000001e-10 ] [ 4.363165000000001e-10 1.510923e-10 1.91691e-10 ] [ 4.651171e-10 2.095892e-10 4.214607e-10 ] [ 5.448722e-10 3.893309e-10 2.444809e-10 ] [ 3.326625e-10 3.729664e-10 3.343147e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1955775 -0.4107318 -0.0428367 ] [ -1.9874344 0.5824489 0.1165381 ] [ -0.3224708 2.1803232 -0.0358787 ] [ 3.3707259 -0.1950322 -0.1432672 ] [ -0.7672874 -2.4947865 0.1545264 ] [ -1.489111 0.3377783 -0.0490819 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.915526318854512e-09 -6.580648873791015e-10 -6.863195925222337e-11 ] [ -3.184220931053676e-09 9.331860103906772e-10 1.867146192524525e-10 ] [ -5.166551766506727e-10 3.493262856827843e-09 -5.748401432469696e-11 ] [ 5.400498232105039e-09 -3.124760311431897e-10 -2.295393583674778e-10 ] [ -1.229329933714418e-09 -3.997088604187459e-09 2.475785853763891e-10 ] [ -2.385818829976109e-09 5.411804952735686e-10 -7.863787268444351e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -24.342165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.900044766265603e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9201826 1.8098042 2.4926599 ] [ 2.5632561 2.0239268 4.8471521 ] [ 4.2589853 1.8125404 1.7994351 ] [ 4.9293878 2.0356552 4.254004 ] [ 5.4440631 3.6516244 2.6375809 ] [ 3.1629912 3.6789721 3.258043 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9201826e-10 1.8098042e-10 2.4926599e-10 ] [ 2.5632561e-10 2.0239268e-10 4.8471521e-10 ] [ 4.2589853e-10 1.8125404e-10 1.7994351e-10 ] [ 4.9293878e-10 2.0356552e-10 4.254004e-10 ] [ 5.4440631e-10 3.6516244e-10 2.6375809e-10 ] [ 3.1629912e-10 3.6789721e-10 3.258043e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.79e-05 4.34e-05 -3.3e-06 ] [ -4.7e-06 -5.31e-05 1.13e-05 ] [ 3.74e-05 -1.21e-05 8.3e-06 ] [ -9e-07 8.14e-05 -2.48e-05 ] [ -2.45e-05 -5.09e-05 4.9e-06 ] [ 2.06e-05 -8.7e-06 3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.470072772032e-14 6.953446534272e-14 -5.28718284864e-15 ] [ -7.53023011776e-15 -8.507557856448001e-14 1.810459581504e-14 ] [ 5.992140561792e-14 -1.938633711168e-14 1.329806595264e-14 ] [ -1.44195895872e-15 1.3041717693312e-13 -3.973398019584e-14 ] [ -3.92533272096e-14 -8.155078999872e-14 7.850665441919999e-15 ] [ 3.300483838848e-14 -1.393893660096e-14 5.928053496960001e-15 ] ] } "relaxed-potential-energy" { "source-value" -25.785631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.131313514077573e-18 } }