{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5595981 -0.1226064 1.0093445 ] [ -2.8303003 5.7700726 0.1850522 ] [ -7.999974 -3.1994578 -5.5249772 ] [ 2.5306233 -5.8273825 -1.6448327 ] [ 1.4403796 -1.1476381 1.9013787 ] [ 8.8420488 5.4179835 -2.0300875 ] [ -1.4231792 -0.8909713 6.104122 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.965749928641004e-10 -1.964371076404531e-10 1.617148160233066e-09 ] [ -4.534640970503226e-09 9.24467542003867e-09 2.964863084676058e-10 ] [ -1.281737130980786e-08 -5.126096486396203e-09 -8.851989300293046e-09 ] [ 4.054505487311744e-09 -9.336496001959054e-09 -2.63531249706734e-09 ] [ 2.307742520197256e-09 -1.838718932959332e-09 3.046344500427097e-09 ] [ 1.41665238673327e-08 8.680566495580157e-09 -3.25255873067832e-09 ] [ -2.280184441448848e-09 -1.427493386663783e-09 9.779881558910939e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.3640991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.992057548874321e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.814713 2.2657274 3.5094546 ] [ 3.0944481 5.2027897 2.4462983 ] [ 2.5327767 3.0910343 1.3819732 ] [ 4.6219076 2.0089979 1.6180394 ] [ 5.469314 3.1368762 3.5156158 ] [ 5.4836918 5.2144463 2.3296917 ] [ 3.3564519 3.7856193 4.5269 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.814713e-10 2.2657274e-10 3.509454600000001e-10 ] [ 3.0944481e-10 5.2027897e-10 2.4462983e-10 ] [ 2.5327767e-10 3.0910343e-10 1.3819732e-10 ] [ 4.6219076e-10 2.0089979e-10 1.6180394e-10 ] [ 5.469314e-10 3.1368762e-10 3.5156158e-10 ] [ 5.4836918e-10 5.2144463e-10 2.3296917e-10 ] [ 3.356451900000001e-10 3.7856193e-10 4.526900000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6.2e-06 -1.52e-05 6.2e-06 ] [ 2e-06 -7.3e-06 -1.37e-05 ] [ -2.2e-05 1.37e-05 1.91e-05 ] [ 2.88e-05 -9.3e-06 -1.37e-05 ] [ -1.5e-06 -1.19e-05 -1.21e-05 ] [ 9.9e-06 6.8e-06 1.5e-05 ] [ -1.1e-05 2.31e-05 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.93349504896e-15 -2.435308463616e-14 9.93349504896e-15 ] [ 3.2043532416e-15 -1.169588933184e-14 -2.194981970496e-14 ] [ -3.52478856576e-14 2.194981970496e-14 3.060157345728e-14 ] [ 4.614268667904e-14 -1.490024257344e-14 -2.194981970496e-14 ] [ -2.4032649312e-15 -1.906590178752e-14 -1.938633711168e-14 ] [ 1.586154854592e-14 1.089480102144e-14 2.4032649312e-14 ] [ -1.76239428288e-14 3.701027994048e-14 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }