{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 38.7673065 -81.8833061 -73.4215498 ] [ -53.9367078 91.9936849 66.6351497 ] [ -13.9540552 -21.3953738 23.9145118 ] [ -1.2174729 -4.385765 -33.1556431 ] [ 10.104345 13.6026318 17.606269 ] [ 14.4736027 -8.7632661 -21.5870818 ] [ 5.7629817 10.8313942 20.0083441 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.21120726374163e-08 -1.311915197480897e-07 -1.176342915216274e-07 ] [ -8.641613295204554e-08 1.473901324223386e-07 1.067612798524321e-07 ] [ -2.23568611909862e-08 -3.427916797805579e-08 3.831527201947727e-08 ] [ -1.950606632908218e-09 -7.026770205215009e-09 -5.312119666006332e-08 ] [ 1.618894546087473e-08 2.179381883086536e-08 2.820835280371854e-08 ] [ 2.318926805573931e-08 -1.404030018294431e-08 -3.458631805620666e-08 ] [ 9.233314621909596e-09 1.735380670088312e-08 3.205690140205175e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.1414048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.304396853849544e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5937845 1.36256 1.3162462 ] [ 1.424278 2.990141 3.0700531 ] [ 2.4069169 1.6331623 5.0375221 ] [ 2.5638999 3.9125188 0.7406295 ] [ 4.4528109 3.2166144 5.4137591 ] [ 4.3413953 1.5739815 3.2080821 ] [ 3.8263325 4.2165051 3.0457539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5937845e-10 1.36256e-10 1.3162462e-10 ] [ 1.424278e-10 2.990141e-10 3.0700531e-10 ] [ 2.4069169e-10 1.6331623e-10 5.037522100000001e-10 ] [ 2.5638999e-10 3.9125188e-10 7.406295000000001e-11 ] [ 4.4528109e-10 3.2166144e-10 5.4137591e-10 ] [ 4.3413953e-10 1.5739815e-10 3.2080821e-10 ] [ 3.8263325e-10 4.2165051e-10 3.0457539e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.02e-05 -1.27e-05 3.41e-05 ] [ -1.63e-05 -4.76e-05 -1.9e-06 ] [ -1.53e-05 3.35e-05 -1.93e-05 ] [ -1.6e-06 1.08e-05 1.84e-05 ] [ -1.1e-05 -1.32e-05 3.71e-05 ] [ 9.5e-06 2.84e-05 -4.68e-05 ] [ 4.5e-05 8e-07 -2.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.63422016668e-14 -2.03476432518e-14 5.46342232194e-14 ] [ -2.61154791342e-14 -7.62636077784e-14 -3.0441356046e-15 ] [ -2.45133025002e-14 5.367291723899999e-14 -3.09220090362e-14 ] [ -2.5634826144e-15 1.73035076472e-14 2.94800500656e-14 ] [ -1.7623942974e-14 -2.11487315688e-14 5.94407531214e-14 ] [ 1.5220678023e-14 4.550181640559999e-14 -7.498186647119999e-14 ] [ 7.209794852999999e-14 1.2817413072e-15 -3.46070152944e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.452101 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.917658487440803e-18 } }