{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.8273574 -1.4169199 -0.3548108 ] [ -2.0753681 -0.7125707 -0.2638278 ] [ -2.5220561 1.6713727 0.7065323 ] [ -1.7826296 -2.1250237 0.1846173 ] [ 3.820561 1.1964351 -1.2544732 ] [ 1.4959382 1.271159 -0.8164644 ] [ 0.2361971 0.1155475 1.7984266 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.325572683325874e-09 -2.270155937326274e-09 -5.684695685673446e-10 ] [ -3.325106249374116e-09 -1.141664116207091e-09 -4.226987330770983e-10 ] [ -4.040779319766027e-09 2.677834264583372e-09 1.131989532900052e-09 ] [ -2.856087468666056e-09 -3.404663290785913e-09 2.957895218552199e-10 ] [ 6.121213512540269e-09 1.91690034552451e-09 -2.009887632460162e-09 ] [ 2.396757210201635e-09 2.036621231119507e-09 -1.308120173395499e-09 ] [ 3.784294715207597e-10 1.85127503091888e-10 2.881397052744833e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.759059 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.928144520760783e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9987809 2.0637784 1.2433579 ] [ 2.1117214 1.1480631 3.6892523 ] [ 1.6241959 3.2245992 2.7346814 ] [ 3.7318516 -0.006134 2.2895102 ] [ 5.2408574 1.9260476 2.1763418 ] [ 4.4515513 1.1113091 4.3526858 ] [ 3.8076326 3.3196113 3.5620336 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9987809e-10 2.0637784e-10 1.2433579e-10 ] [ 2.1117214e-10 1.1480631e-10 3.6892523e-10 ] [ 1.6241959e-10 3.2245992e-10 2.7346814e-10 ] [ 3.7318516e-10 -6.134e-13 2.2895102e-10 ] [ 5.2408574e-10 1.9260476e-10 2.1763418e-10 ] [ 4.451551300000001e-10 1.1113091e-10 4.3526858e-10 ] [ 3.8076326e-10 3.3196113e-10 3.5620336e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.9e-05 8.5e-06 6.43e-05 ] [ -6.74e-05 -7.88e-05 8.97e-05 ] [ 5.79e-05 -7.4e-06 -0.0001274 ] [ 1.52e-05 -1e-07 -3e-06 ] [ 2.68e-05 1.07e-05 -2.58e-05 ] [ -2.65e-05 2.29e-05 -8.93e-05 ] [ 4.31e-05 4.41e-05 9.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.85066544192e-14 1.36185012768e-14 1.0301995671744e-13 ] [ -1.0798670424192e-13 -1.2625151771904e-13 1.4371524288576e-13 ] [ 9.276602634432e-14 -1.185610699392e-14 -2.0411730148992e-13 ] [ 2.435308463616e-14 -1.6021766208e-16 -4.8065298624e-15 ] [ 4.293833343744e-14 1.714328984256e-14 -4.133615681664e-14 ] [ -4.24576804512e-14 3.668984461632e-14 -1.4307437223744e-13 ] [ 6.905381235648e-14 7.065598897728e-14 1.4643894314112e-13 ] ] } "relaxed-potential-energy" { "source-value" -32.25324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.16753870730514e-18 } }