{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9235653 -4.090562 -3.222826 ] [ 0.4824266 0.0845655 1.132226 ] [ -1.8647573 -0.4561365 -2.1095482 ] [ -3.9601569 -2.5040864 5.9853052 ] [ 1.0043324 7.6618287 -1.955321 ] [ -0.3224899 0.6850263 -2.4735222 ] [ 5.5842105 -1.3806355 2.6436861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.4797147436332e-09 -6.553802856328308e-09 -5.163536512647683e-09 ] [ 7.729326261400643e-10 1.35488868142527e-10 1.814026041607284e-09 ] [ -2.987670574140928e-09 -7.30811242214541e-10 -3.379868834336758e-09 ] [ -6.344870852153874e-09 -4.011988719597177e-09 9.589516138798696e-09 ] [ 1.609117904049141e-09 1.227560291685059e-08 -3.132769618169514e-09 ] [ -5.166857824809965e-10 1.097533131535474e-09 -3.963019472520274e-09 ] [ 8.946891582437456e-09 -2.212021938170907e-09 4.235652097050586e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.760465064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.364887223398234e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8484235 1.022828 2.5933965 ] [ 2.5076178 2.6516861 0.6446108 ] [ 0.9097319 2.7956739 2.3970407 ] [ 2.3112917 2.2575552 4.857687 ] [ 2.6353719 4.2422413 3.4188027 ] [ 4.3742579 3.1030431 2.1792437 ] [ 4.5822584 1.8551055 4.2869723 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8484235e-10 1.022828e-10 2.5933965e-10 ] [ 2.5076178e-10 2.6516861e-10 6.446108e-11 ] [ 9.097319e-11 2.7956739e-10 2.3970407e-10 ] [ 2.3112917e-10 2.2575552e-10 4.857687000000001e-10 ] [ 2.6353719e-10 4.2422413e-10 3.4188027e-10 ] [ 4.3742579e-10 3.1030431e-10 2.1792437e-10 ] [ 4.5822584e-10 1.8551055e-10 4.2869723e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-05 5.9e-06 1.54e-05 ] [ 4e-06 -7.9e-06 -3.4e-05 ] [ -2.38e-05 -9.4e-06 -3.54e-05 ] [ 9.1e-06 -2.36e-05 4.5e-06 ] [ -1.69e-05 4.28e-05 4.39e-05 ] [ 2.2e-05 -3.2e-06 -3.27e-05 ] [ 5.35e-05 -4.6e-06 3.83e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.690447843199999e-14 9.452842140600001e-15 2.46735201636e-14 ] [ 6.408706535999999e-15 -1.26571954086e-14 -5.447400555599999e-14 ] [ -3.81318038892e-14 -1.50604603596e-14 -5.671705284359999e-14 ] [ 1.45798073694e-14 -3.78113685624e-14 7.209794853e-15 ] [ -2.70767851146e-14 6.857315993519999e-14 7.03355542326e-14 ] [ 3.5247885948e-14 -5.1269652288e-15 -5.23911759318e-14 ] [ 8.571644991899998e-14 -7.370012516399999e-15 6.13633650822e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.180097064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.912772672126102e-18 } }