{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6389296 0.0940275 -0.1965958 ] [ 0.6207968 0.2315493 -2.7212295 ] [ -3.2090842 -1.2206596 2.065693 ] [ 1.7400562 2.3913993 0.2233514 ] [ -0.9196186 -3.2017739 -3.7443787 ] [ -0.2700105 0.9217345 -1.3867479 ] [ 1.3989307 0.7837229 5.7599075 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.023678067457096e-09 1.50648662212272e-10 -3.149811945074727e-10 ] [ 9.946261192274534e-10 3.709828750226055e-10 -4.359890284731274e-09 ] [ -5.141519679418671e-09 -1.95571227307508e-09 3.309605030350215e-09 ] [ 2.787877362518089e-09 3.831444049457485e-09 3.578483913029491e-10 ] [ -1.473391420972827e-09 -5.129807287667637e-09 -5.999156012561497e-09 ] [ -4.326045104705184e-10 1.476781466484778e-09 -2.221815064323496e-09 ] [ 2.241334061659379e-09 1.255662507565576e-09 9.228389134470576e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.604012 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.621561956268266e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2373014 1.9753916 3.6099676 ] [ 2.010562 3.6931825 0.8513153 ] [ 1.0796159 3.9356395 3.0022855 ] [ 3.0184176 5.1381021 3.5915294 ] [ 3.5691438 2.0413356 1.6181005 ] [ 4.1610295 4.4378251 1.6041387 ] [ 4.3327727 3.1362206 3.6946249 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2373014e-10 1.9753916e-10 3.6099676e-10 ] [ 2.010562e-10 3.6931825e-10 8.513153e-11 ] [ 1.0796159e-10 3.935639500000001e-10 3.0022855e-10 ] [ 3.0184176e-10 5.1381021e-10 3.5915294e-10 ] [ 3.5691438e-10 2.0413356e-10 1.6181005e-10 ] [ 4.1610295e-10 4.437825100000001e-10 1.6041387e-10 ] [ 4.3327727e-10 3.1362206e-10 3.6946249e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.37e-05 2.7e-05 1.37e-05 ] [ 4.02e-05 -4.5e-06 1.5e-05 ] [ -5.55e-05 4.4e-06 -4.18e-05 ] [ 9e-07 -1.14e-05 4e-05 ] [ -1.97e-05 4.5e-06 2.73e-05 ] [ -1.98e-05 1.51e-05 -3.19e-05 ] [ 3.02e-05 -3.51e-05 -2.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.797158591296e-14 4.32587687616e-14 2.194981970496e-14 ] [ 6.440750015616e-14 -7.2097947936e-15 2.4032649312e-14 ] [ -8.892080245440001e-14 7.04957713152e-15 -6.697098274944e-14 ] [ 1.44195895872e-15 -1.826481347712e-14 6.4087064832e-14 ] [ -3.156287942976e-14 7.2097947936e-15 4.373942174784e-14 ] [ -3.172309709184e-14 2.419286697408e-14 -5.110943420352001e-14 ] [ 4.838573394816e-14 -5.623639939008e-14 -3.572853864384e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.660576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.951059832266158e-18 } }