{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7742631 -1.0796312 -5.2917654 ] [ -2.0627406 -0.7559556 0.0404933 ] [ 2.3581683 -0.9261632 2.1594962 ] [ -2.5859872 2.0321991 0.205481 ] [ 3.034561 -0.2844571 -1.0750235 ] [ 0.4435782 -2.9515177 3.8857007 ] [ 1.5866833 3.9655257 0.0756177 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.444859478768133e-09 -1.729759867726249e-09 -8.478342806638361e-09 ] [ -3.304874764094965e-09 -1.211174388682836e-09 6.487741855904066e-11 ] [ 3.778202118171681e-09 -1.483877026085314e-09 3.459894324346441e-09 ] [ -4.143208233528054e-09 3.255941886830802e-09 3.292168542186048e-10 ] [ 4.861902688591469e-09 -4.557505152405677e-10 -1.722377518510589e-09 ] [ 7.106906215365465e-10 -4.728852654817388e-09 6.225578816966195e-09 ] [ 2.542146887873793e-09 6.353472565721554e-09 1.211529110586681e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -11.925951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.910747987300638e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4707087 2.838165 1.0726982 ] [ 1.3696816 2.0220804 2.8984878 ] [ 3.5851595 3.5175052 4.784465 ] [ 1.5194372 4.1331698 3.7544345 ] [ 4.5364564 2.222529 2.1026964 ] [ 3.356847 1.429852 3.8892973 ] [ 3.6355225 4.5048877 2.5032808 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4707087e-10 2.838165e-10 1.0726982e-10 ] [ 1.3696816e-10 2.0220804e-10 2.8984878e-10 ] [ 3.5851595e-10 3.5175052e-10 4.784465000000001e-10 ] [ 1.5194372e-10 4.1331698e-10 3.7544345e-10 ] [ 4.5364564e-10 2.222529e-10 2.1026964e-10 ] [ 3.356847e-10 1.429852e-10 3.8892973e-10 ] [ 3.6355225e-10 4.504887700000001e-10 2.5032808e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.68e-05 5e-07 -1.98e-05 ] [ -1.1e-05 -1.22e-05 -1.54e-05 ] [ 3.7e-05 7.4e-06 2.66e-05 ] [ -4.7e-06 -1.56e-05 -1.1e-06 ] [ 1.04e-05 -8.1e-06 1.31e-05 ] [ -1.78e-05 3.3e-06 5.2e-06 ] [ 2.9e-06 2.46e-05 -8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.691656722944e-14 8.010883104e-16 -3.172309709184e-14 ] [ -1.76239428288e-14 -1.954655477376e-14 -2.467351996032e-14 ] [ 5.92805349696e-14 1.185610699392e-14 4.261789811328e-14 ] [ -7.53023011776e-15 -2.499395528448e-14 -1.76239428288e-15 ] [ 1.666263685632e-14 -1.297763062848e-14 2.098851373248e-14 ] [ -2.851874385024e-14 5.28718284864e-15 8.33131842816e-15 ] [ 4.646312200320001e-15 3.941354487168e-14 -1.36185012768e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }