{ "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" [ [ -1.8349225 -2.6439675 -3.3131872 ] [ 0.4749161 -0.4250528 2.8318724 ] [ -0.8027369 -0.6755682 -3.1451527 ] [ -3.6016997 -3.8375292 7.0160589 ] [ 1.5435108 7.7388536 -3.3721602 ] [ -0.92437 0.9181375 -1.9435743 ] [ 5.1453022 -1.0748734 1.9261432 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.939869930479888e-09 -4.236102914655024e-09 -5.308311072173814e-09 ] [ 7.608994722615149e-10 -6.810096587655783e-10 4.537159752368786e-09 ] [ -1.286126293833467e-09 -1.082379575795939e-09 -5.039090124785997e-09 ] [ -5.770559054482374e-09 -6.148399565877327e-09 1.124096553973576e-08 ] [ 2.472976917712304e-09 1.239901030971392e-08 -5.402796234032253e-09 ] [ -1.481004002968896e-09 1.47101843717976e-09 -3.113949304247725e-09 ] [ 8.243682891790806e-09 -1.722137031799807e-09 3.086021603352899e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.367924 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.942865840543122e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6181585 0.6523203 2.3631256 ] [ 2.9311945 2.4385273 0.7944563 ] [ 1.1642664 2.6074578 2.5854761 ] [ 2.5626018 2.7035012 5.0486725 ] [ 2.4409598 4.4031752 3.4550817 ] [ 4.2883493 3.5021022 2.3423775 ] [ 4.1634226 1.6210488 3.7885639 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6181585e-10 6.523203e-11 2.3631256e-10 ] [ 2.9311945e-10 2.4385273e-10 7.944563e-11 ] [ 1.1642664e-10 2.6074578e-10 2.5854761e-10 ] [ 2.5626018e-10 2.7035012e-10 5.048672500000001e-10 ] [ 2.4409598e-10 4.4031752e-10 3.4550817e-10 ] [ 4.2883493e-10 3.5021022e-10 2.3423775e-10 ] [ 4.1634226e-10 1.6210488e-10 3.7885639e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.54e-05 -2.83e-05 1.68e-05 ] [ -9.7e-06 5.68e-05 -1.87e-05 ] [ 6.37e-05 -5.97e-05 8e-06 ] [ -2.87e-05 -3e-06 5.25e-05 ] [ 2.79e-05 4.27e-05 -4.9e-05 ] [ -2.13e-05 1.61e-05 2.1e-06 ] [ -6.6e-06 -2.46e-05 -1.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.069528616832e-14 -4.534159836864e-14 2.691656722944e-14 ] [ -1.554111322176e-14 9.100363206143999e-14 -2.996070280896e-14 ] [ 1.0205865074496e-13 -9.564994426176e-14 1.28174129664e-14 ] [ -4.598246901696e-14 -4.8065298624e-15 8.4114272592e-14 ] [ 4.470072772032e-14 6.841294170816001e-14 -7.85066544192e-14 ] [ -3.412636202304e-14 2.579504359488e-14 3.36457090368e-15 ] [ -1.057436569728e-14 -3.941354487168e-14 -1.858524880128e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.30335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573390593551968e-18 } }