{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2130213 -2.5968877 -4.446416 ] [ -2.4982983 -2.0579481 2.9206096 ] [ -3.0812117 6.6047424 -2.6084984 ] [ 3.3055067 0.4577058 -0.3360602 ] [ 2.7834368 -3.7931746 1.6084211 ] [ 0.9961932 0.1894361 -1.074062 ] [ 2.7073946 1.1961261 3.9360059 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.750004229792423e-09 -4.160672759783084e-09 -7.123943761551054e-09 ] [ -4.002715128044385e-09 -3.29719633263978e-09 4.67933241960404e-09 ] [ -4.936645349475424e-09 1.058196385968648e-08 -4.179275151874207e-09 ] [ 5.296005554637759e-09 7.333255319645607e-10 -5.384277956213722e-10 ] [ 4.459557366434365e-09 -6.077335662732392e-09 2.576974682821419e-09 ] [ 1.596077454839939e-09 3.035100905555309e-10 -1.72083702568969e-09 ] [ 4.337724331400168e-09 1.916405272948683e-09 6.306176632310863e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.289104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.770019822337976e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4235733 2.5144626 1.8880327 ] [ 1.9160607 2.5117881 4.2412477 ] [ 2.3107736 4.6963353 3.0039332 ] [ 4.7981555 2.180543 1.7223234 ] [ 4.2414319 1.6935081 3.9759846 ] [ 4.3474238 4.526521 1.8427084 ] [ 3.7959502 3.9648059 4.8089179 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4235733e-10 2.5144626e-10 1.8880327e-10 ] [ 1.9160607e-10 2.5117881e-10 4.2412477e-10 ] [ 2.3107736e-10 4.696335300000001e-10 3.0039332e-10 ] [ 4.7981555e-10 2.180543e-10 1.7223234e-10 ] [ 4.2414319e-10 1.6935081e-10 3.9759846e-10 ] [ 4.3474238e-10 4.526521e-10 1.8427084e-10 ] [ 3.7959502e-10 3.9648059e-10 4.8089179e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0357291 -0.0887871 -0.4324645 ] [ -0.0805705 -0.1253295 0.0988698 ] [ 0.1225431 -0.1982951 0.2585171 ] [ -0.3164498 0.3549461 0.1123331 ] [ -0.0478516 0.4639112 0.2093901 ] [ 0.2735209 -0.2336676 -0.1729148 ] [ 0.0845371 -0.1727781 -0.0737307 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.724432870222529e-11 -1.422526158486317e-10 -6.928845112259616e-10 ] [ -1.290881714261664e-10 -2.007999947965536e-10 1.584068820631718e-10 ] [ 1.963356898603565e-10 -3.177037732391981e-10 4.141900536970157e-10 ] [ -5.070084712168358e-10 5.686863430641389e-10 1.799774665619885e-10 ] [ -7.666671478787328e-11 7.43267678767273e-10 3.354799228469741e-10 ] [ 4.382287912801747e-10 -3.743767657584461e-10 -2.770400499503079e-10 ] [ 1.354433652102317e-10 -2.768210324062445e-10 -1.181296037752186e-10 ] ] } "relaxed-potential-energy" { "source-value" -21.010695 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.366284431575946e-18 } }