{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1590623 -0.9089839 -0.1409127 ] [ -5.1829317 2.5132762 -1.2980479 ] [ -1.8182457 -1.8502365 1.4538553 ] [ -1.2318465 1.1344604 1.595841 ] [ 3.6766413 -1.279488 -0.6741562 ] [ 3.5778744 0.0442703 -1.9432276 ] [ 0.8194459 0.3467016 1.0066481 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.548458983106758e-10 -1.456352753263605e-09 -2.257670335138041e-10 ] [ -8.303971996943199e-09 4.026712369253065e-09 -2.079701998058536e-09 ] [ -2.913150751410131e-09 -2.96440566325082e-09 2.329332971686171e-09 ] [ -1.973635662714307e-09 1.817605930103416e-09 2.556819140714093e-09 ] [ 5.890628733927719e-09 -2.04996576019415e-09 -1.080117302407369e-09 ] [ 5.732386715838827e-09 7.092883965580225e-11 -3.113393829613294e-09 ] [ 1.312897062990415e-09 5.554771979139533e-10 1.612828051192741e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.602749 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.980488953041058e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1219172 2.7226989 0.9420579 ] [ 1.9179094 4.8186811 2.1664631 ] [ 2.0760389 2.67693 3.3161778 ] [ 4.4445702 3.0863385 0.996089 ] [ 4.3987743 3.0406592 3.3659623 ] [ 3.994124 5.3941176 1.0297456 ] [ 3.948235 5.3483538 3.4038683 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1219172e-10 2.7226989e-10 9.420579e-11 ] [ 1.9179094e-10 4.818681100000001e-10 2.1664631e-10 ] [ 2.0760389e-10 2.67693e-10 3.3161778e-10 ] [ 4.4445702e-10 3.0863385e-10 9.96089e-11 ] [ 4.398774300000001e-10 3.0406592e-10 3.3659623e-10 ] [ 3.994124e-10 5.394117600000001e-10 1.0297456e-10 ] [ 3.948235e-10 5.3483538e-10 3.4038683e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.4e-06 -1.2e-06 8e-07 ] [ 1.49e-05 -1.95e-05 3.11e-05 ] [ -1.34e-05 1.81e-05 1.13e-05 ] [ 2.32e-05 1.56e-05 -6.9e-06 ] [ -1.95e-05 -2.6e-06 -7.9e-06 ] [ 5.9e-06 1.1e-06 5.3e-06 ] [ -1.35e-05 -1.15e-05 -3.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.84522388992e-15 -1.92261194496e-15 1.28174129664e-15 ] [ 2.387243164992e-14 -3.12424441056e-14 4.982769290688e-14 ] [ -2.146916671872e-14 2.899939683648e-14 1.810459581504e-14 ] [ 3.717049760256e-14 2.499395528448e-14 -1.105501868352e-14 ] [ -3.12424441056e-14 -4.16565921408e-15 -1.265719530432e-14 ] [ 9.45284206272e-15 1.76239428288e-15 8.491536090240001e-15 ] [ -2.16293843808e-14 -1.84250311392e-14 -5.383313445888e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }