{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.1135207 -3.9588048 -2.3679949 ] [ -5.2670913 3.7736161 -0.472799 ] [ -1.016428 -3.6894476 -3.2467463 ] [ 3.9663589 -4.7230848 -3.3091196 ] [ 3.3261887 -3.4206988 0.5242754 ] [ 4.2257948 2.3763548 0.0552684 ] [ 1.8786976 9.642065 8.8171161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.139711665101532e-08 -6.342704549127043e-09 -3.793946098211166e-09 ] [ -8.438810610004683e-09 6.045999541106206e-09 -7.575075103785659e-10 ] [ -1.628497191743352e-09 -5.911146737087378e-09 -5.201861058385953e-09 ] [ 6.354807551637942e-09 -7.567216106960561e-09 -5.301794102231426e-09 ] [ 5.329141815414835e-09 -5.480563689311838e-09 8.399817956610034e-10 ] [ 6.770469688638703e-09 3.807340134653743e-09 8.85497390785656e-11 ] [ 3.010005397071878e-09 1.544829124650921e-08 1.412657739468521e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -11.330643 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.815369146279566e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5687913 1.7257695 3.7087858 ] [ 2.1758994 4.6220842 2.94932 ] [ 2.5956273 2.6700035 1.5493423 ] [ 4.852561 2.3151303 2.3520685 ] [ 3.8990028 1.9616878 4.6247995 ] [ 5.2215706 4.7629469 2.7917459 ] [ 3.7075246 4.3674688 4.8326021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5687913e-10 1.7257695e-10 3.7087858e-10 ] [ 2.1758994e-10 4.6220842e-10 2.949320000000001e-10 ] [ 2.5956273e-10 2.6700035e-10 1.5493423e-10 ] [ 4.852561e-10 2.3151303e-10 2.3520685e-10 ] [ 3.8990028e-10 1.9616878e-10 4.6247995e-10 ] [ 5.2215706e-10 4.7629469e-10 2.7917459e-10 ] [ 3.7075246e-10 4.3674688e-10 4.8326021e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0062208 0.0173633 0.0147195 ] [ -0.0370629 -0.0058205 0.0481248 ] [ 0.0102836 -0.0198492 -0.0502542 ] [ -0.0025452 0.0039834 0.0029434 ] [ -0.0068581 0.0054376 0.0001026 ] [ 0.0240303 -0.0076299 0.0222346 ] [ 0.0059315 0.0065152 -0.0378709 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.966820404787198e-12 2.78190735491322e-11 2.3583238964163e-11 ] [ -5.93813123682786e-11 -9.325469098197e-12 7.71044300759232e-11 ] [ 1.64761436334024e-11 -3.18019244435928e-11 -8.051610500036279e-11 ] [ -4.0778599688568e-12 6.382110403875599e-12 4.7158467045156e-12 ] [ -1.09878875736354e-11 8.711995665038399e-12 1.643833226484e-13 ] [ 3.85007851680102e-11 -1.22244474997566e-11 3.56237565863364e-11 ] [ 9.503310704571e-12 1.04385012058368e-11 -6.06758710885506e-11 ] ] } "relaxed-potential-energy" { "source-value" -18.714245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998352606195133e-18 } }