{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5961872 -5.6858869 -0.8009461 ] [ -4.212001 4.9357908 -0.8622886 ] [ -5.6234112 6.856999 1.1181277 ] [ 3.8792484 -4.9883452 0.8041569 ] [ -1.368534 1.0676285 -0.8828002 ] [ 6.135747 -0.3011716 -2.7157741 ] [ 0.5927638 -1.8850147 3.3395242 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.551972013298846e-10 -9.109795134746692e-09 -1.283257126513427e-09 ] [ -6.748369584584633e-09 7.908008690072167e-09 -1.381538646684572e-09 ] [ -9.009698028013898e-09 1.098612357716136e-08 1.791438074768162e-09 ] [ 6.215241143961885e-09 -7.992210121766057e-09 1.288401395249874e-09 ] [ -2.192633197634556e-09 1.710529436492469e-09 -1.414401852930527e-09 ] [ 9.830550475535597e-09 -4.825301003443943e-10 -4.351149806242379e-09 ] [ 9.49712309841049e-10 -3.020126507086519e-09 5.350507641917543e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.675194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.9920959462217e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4027313 2.0890578 2.8041643 ] [ 2.4757613 3.7999607 0.9155901 ] [ 2.1465992 4.5806948 3.2788999 ] [ 4.1381184 1.9187727 0.9444134 ] [ 4.8363463 1.5368676 3.3255393 ] [ 4.4782082 3.9182711 2.4889451 ] [ 3.6055224 3.1820284 4.7683311 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4027313e-10 2.0890578e-10 2.8041643e-10 ] [ 2.4757613e-10 3.799960700000001e-10 9.155901e-11 ] [ 2.1465992e-10 4.5806948e-10 3.2788999e-10 ] [ 4.1381184e-10 1.9187727e-10 9.444134e-11 ] [ 4.8363463e-10 1.5368676e-10 3.3255393e-10 ] [ 4.4782082e-10 3.9182711e-10 2.4889451e-10 ] [ 3.6055224e-10 3.1820284e-10 4.7683311e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-06 6.4e-06 1.3e-06 ] [ 5.4e-06 -3.1e-06 1.5e-06 ] [ 9e-07 1.4e-06 3.3e-06 ] [ -4.2e-06 1.3e-06 1.19e-05 ] [ 3.6e-06 3.2e-06 -4.8e-06 ] [ -5.7e-06 -4.2e-06 -0.0 ] [ -4.7e-06 -5.1e-06 -1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.530230179799999e-15 1.02539304576e-14 2.0828296242e-15 ] [ 8.6517538236e-15 -4.9667475654e-15 2.403264951e-15 ] [ 1.4419589706e-15 2.2430472876e-15 5.2871828922e-15 ] [ -6.729141862799999e-15 2.0828296242e-15 1.90659019446e-14 ] [ 5.767835882399999e-15 5.1269652288e-15 -7.690447843199998e-15 ] [ -9.1324068138e-15 -6.729141862799999e-15 0.0 ] [ -7.530230179799999e-15 -8.1711008334e-15 -2.082829624199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.11232 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.542784242753088e-18 } }