{ "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" [ [ 0.0317926 0.0463887 1.270674 ] [ 0.0111454 2.887791 2.968384 ] [ 2.5478 0.1715431 0.0845133 ] [ 1.93577 0.0052704 2.481441 ] [ 2.875434 2.93696 0.1676441 ] [ 2.282488 2.689422 2.770272 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.17926e-12 4.63887e-12 1.270674e-10 ] [ 1.11454e-12 2.887791e-10 2.968384e-10 ] [ 2.5478e-10 1.715431e-11 8.451330000000001e-12 ] [ 1.93577e-10 5.270399999999999e-13 2.481441e-10 ] [ 2.875434e-10 2.93696e-10 1.676441e-11 ] [ 2.282488e-10 2.689422e-10 2.770272e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0652756 0.4155476 -0.1806716 ] [ -0.3526718 -0.497693 -0.2739067 ] [ -0.5960828 1.0203086 0.841151 ] [ 0.7774702 1.0256121 -0.1884874 ] [ -0.2131541 -1.0902225 1.0825006 ] [ 0.4497141 -0.8735529 -1.2805858 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.045830402286925e-10 6.657806495495502e-10 -2.894678135625293e-10 ] [ -5.650425127754533e-10 -7.973920889358144e-10 -4.388469110204794e-10 ] [ -9.550299262210023e-10 1.634714584921179e-09 1.347672466762541e-09 ] [ 1.2456445778087e-09 1.643211728629592e-09 -3.019901055953779e-10 ] [ -3.415105156476653e-10 -1.746729000970128e-09 1.734357153321972e-09 ] [ 7.205214170641133e-10 -1.39958603341204e-09 -2.051724629688465e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.151688930490678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.253915562066322e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3296369 0.6886473 0.8691 ] [ 0.5376073 2.3685463 2.5279575 ] [ 2.6905378 0.5439133 0.7196862 ] [ 1.6173256 0.2784954 2.8160839 ] [ 1.6108172 2.633961 0.4315569 ] [ 2.8985053 2.2238119 2.3785438 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.296369e-11 6.886473e-11 8.691e-11 ] [ 5.376073e-11 2.3685463e-10 2.5279575e-10 ] [ 2.6905378e-10 5.439133e-11 7.196862e-11 ] [ 1.6173256e-10 2.784954e-11 2.8160839e-10 ] [ 1.6108172e-10 2.633961e-10 4.315569e-11 ] [ 2.8985053e-10 2.2238119e-10 2.3785438e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-06 -3.8e-06 -2.5e-06 ] [ -5.2e-06 -4.4e-06 -2.8e-06 ] [ -4.8e-06 -2.1e-06 -2.6e-06 ] [ 2e-07 1.5e-06 9.3e-06 ] [ 3.1e-06 9.7e-06 1.7e-06 ] [ 5.5e-06 -8e-07 -3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92261194496e-15 -6.08827115904e-15 -4.005441552e-15 ] [ -8.33131842816e-15 -7.04957713152e-15 -4.48609453824e-15 ] [ -7.69044777984e-15 -3.36457090368e-15 -4.16565921408e-15 ] [ 3.2043532416e-16 2.4032649312e-15 1.490024257344e-14 ] [ 4.96674752448e-15 1.554111322176e-14 2.72370025536e-15 ] [ 8.8119714144e-15 -1.28174129664e-15 -4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }