{ "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" [ [ 1.173582 1.448006 2.849718 ] [ 1.983285 3.621531 1.348175 ] [ 2.327062 3.623818 3.682153 ] [ 3.341801 1.495458 1.660386 ] [ 3.963915 2.011825 3.715692 ] [ 4.47485 3.510245 1.32465 ] [ 4.551743 4.234559 4.054178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.173582e-10 1.448006e-10 2.849718e-10 ] [ 1.983285e-10 3.621531e-10 1.348175e-10 ] [ 2.327062e-10 3.623818e-10 3.682153e-10 ] [ 3.341801e-10 1.495458e-10 1.660386e-10 ] [ 3.963915e-10 2.011825e-10 3.715692e-10 ] [ 4.47485e-10 3.510245e-10 1.32465e-10 ] [ 4.551743e-10 4.234559e-10 4.054178000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4268674 -2.9243004 0.5024818 ] [ -2.6198065 3.9200592 -3.158656 ] [ -7.8490994 6.1837802 5.8137719 ] [ 1.8574311 -8.310699 -5.7551004 ] [ 4.8505122 -6.5393574 6.16321 ] [ 4.4481298 4.0087296 -3.768459 ] [ 3.7397002 3.6617878 0.2027517 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.092623451661682e-09 -4.685245733076088e-09 8.050645923375014e-10 ] [ -4.197392725319876e-09 6.280627202391952e-09 -5.060724796349645e-09 ] [ -1.257564355301531e-08 9.90750806460595e-09 9.314689416843996e-09 ] [ 2.975932683166827e-09 -1.331520764030594e-08 -9.220687311236727e-09 ] [ 7.771377245745174e-09 -1.047720554133547e-08 9.87455097108077e-09 ] [ 7.12668957184378e-09 6.422692844228936e-09 -6.037736906243348e-09 ] [ 5.991660229241084e-09 5.866830803490666e-09 3.248440335674553e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.925913 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.910741899029479e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3672121 1.8503606 2.4407842 ] [ 1.8280707 4.1145535 1.2336898 ] [ 1.8943181 3.9615879 3.8352836 ] [ 3.6079689 1.1506759 1.9574081 ] [ 4.6926642 1.5326427 4.0598521 ] [ 4.1378158 3.460457 1.3509481 ] [ 4.2881882 3.8751643 3.7569861 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3672121e-10 1.8503606e-10 2.4407842e-10 ] [ 1.8280707e-10 4.114553500000001e-10 1.2336898e-10 ] [ 1.8943181e-10 3.9615879e-10 3.8352836e-10 ] [ 3.6079689e-10 1.1506759e-10 1.9574081e-10 ] [ 4.692664200000001e-10 1.5326427e-10 4.0598521e-10 ] [ 4.137815800000001e-10 3.460457e-10 1.3509481e-10 ] [ 4.2881882e-10 3.8751643e-10 3.7569861e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-06 2.4e-06 1e-06 ] [ 4.1e-06 -8e-07 1.64e-05 ] [ -8.1e-06 3.8e-06 1.24e-05 ] [ 9.4e-06 -6.4e-06 -2.1e-06 ] [ -5.3e-06 4e-06 3.9e-06 ] [ 1.76e-05 -1.7e-06 -3.99e-05 ] [ -1.17e-05 -1.2e-06 8.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.6130597248e-15 3.84522388992e-15 1.6021766208e-15 ] [ 6.568924145279999e-15 -1.28174129664e-15 2.627569658112e-14 ] [ -1.297763062848e-14 6.08827115904e-15 1.986699009792e-14 ] [ 1.506046023552e-14 -1.025393037312e-14 -3.36457090368e-15 ] [ -8.491536090240001e-15 6.4087064832e-15 6.24848882112e-15 ] [ 2.819830852608e-14 -2.72370025536e-15 -6.392684716992e-14 ] [ -1.874546646336e-14 -1.92261194496e-15 1.329806595264e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }