{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7465767 -0.3156215 -4.290883 ] [ -3.5776215 -1.3482597 0.7717306 ] [ 0.2234709 2.9403964 1.0623318 ] [ 1.078245 -2.8016526 -0.3478539 ] [ 2.5491363 -1.3788769 0.5202072 ] [ 1.7515786 3.4166849 1.2258109 ] [ -0.2782325 -0.5126706 1.0586564 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.798324378228828e-09 -5.056813924880309e-10 -6.874752481827821e-09 ] [ -5.73198157259603e-09 -2.16015018790385e-09 1.2364487350628e-09 ] [ 3.580398543589505e-10 4.711034406777717e-09 1.702043187515161e-09 ] [ 1.72753894472733e-09 -4.488742332305348e-09 -5.573233906257726e-10 ] [ 4.084166616741214e-09 -2.209204350342355e-09 8.334638206785647e-10 ] [ 2.806338305534432e-09 5.474132712520626e-09 1.96396558168251e-09 ] [ -4.45777610319405e-10 -8.213888562587603e-10 1.696154547514557e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.088808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.539017205051227e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5551692 2.544209 1.3825739 ] [ 1.1109086 1.8289752 3.3272743 ] [ 2.0151991 4.2111351 3.1852865 ] [ 4.6469929 1.1647061 1.6046669 ] [ 3.4734962 1.3351494 3.8181145 ] [ 4.4087139 3.4635358 2.7915276 ] [ 3.358145 3.4566794 5.1563793 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5551692e-10 2.544209e-10 1.3825739e-10 ] [ 1.1109086e-10 1.8289752e-10 3.3272743e-10 ] [ 2.0151991e-10 4.2111351e-10 3.1852865e-10 ] [ 4.6469929e-10 1.1647061e-10 1.6046669e-10 ] [ 3.4734962e-10 1.3351494e-10 3.8181145e-10 ] [ 4.4087139e-10 3.4635358e-10 2.791527600000001e-10 ] [ 3.358145e-10 3.4566794e-10 5.156379300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0002384 -6.58e-05 -0.0001879 ] [ -0.0002329 -0.0002937 -9.6e-06 ] [ -5.13e-05 0.000238 0.0001484 ] [ -0.0001808 7.37e-05 0.0001384 ] [ 3.72e-05 6.9e-06 -6.2e-05 ] [ 5.81e-05 -2.86e-05 -5.89e-05 ] [ 0.0001314 6.95e-05 3.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.819589095456e-13 -1.054232225172e-13 -3.010489895286e-13 ] [ -3.731469380586e-13 -4.705592774057999e-13 -1.53808956864e-14 ] [ -8.21916613242e-14 3.81318038892e-13 2.377630124856e-13 ] [ -2.896735354272e-13 1.180804179258e-13 2.217412461456e-13 ] [ 5.96009707848e-14 1.10550187746e-14 -9.933495130799999e-14 ] [ 9.308646243539999e-14 -4.58222517324e-14 -9.436820374259999e-14 ] [ 2.105260097076e-13 1.11351276063e-13 5.046856397099999e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.228499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.881833497469237e-18 } }