{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0066411 1.299857 0.8298456 ] [ 0.9999642 1.240181 2.737035 ] [ 2.654666 1.132969 0.0147569 ] [ 2.745471 0.2375767 2.196855 ] [ 1.997397 2.884463 1.181944 ] [ 2.106064 2.994709 2.966195 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.6411e-13 1.299857e-10 8.298456e-11 ] [ 9.999642e-11 1.240181e-10 2.737035e-10 ] [ 2.654666e-10 1.132969e-10 1.47569e-12 ] [ 2.745471000000001e-10 2.375767e-11 2.196855e-10 ] [ 1.997397e-10 2.884463e-10 1.181944e-10 ] [ 2.106064e-10 2.994709e-10 2.966195e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2847789 -0.8438644 -4.3828323 ] [ -8.0720996 -6.2587816 8.5345979 ] [ 2.1358121 -2.8581179 -4.2145279 ] [ 5.4920363 -6.1879118 0.3283174 ] [ 0.7351174 8.6940137 -13.8391739 ] [ 3.9939128 7.4546621 13.5736188 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.864972578877141e-09 -1.352019812805419e-09 -7.022071443947091e-09 ] [ -1.293292925988903e-08 -1.002767355421322e-08 1.367393322330878e-08 ] [ 3.421948213041752e-09 -4.579209678869993e-09 -6.752418069089321e-09 ] [ 8.799212160444934e-09 -9.914127617532447e-09 5.260224624818419e-10 ] [ 1.177787911823282e-09 1.39293454910549e-08 -2.217280087376556e-08 ] [ 6.398953713673866e-09 1.194368533258383e-08 2.174733470101135e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -8.1348194 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.303341745711028e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1277821 1.468274 0.7009833 ] [ 0.6172691 0.9241342 2.9906352 ] [ 2.5182138 0.9499754 0.0667706 ] [ 3.0076936 0.4058234 2.3564218 ] [ 1.8748769 3.2928466 0.7610841 ] [ 2.3643679 2.7487022 3.0507365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.277821e-11 1.468274e-10 7.009833e-11 ] [ 6.172691e-11 9.241342e-11 2.9906352e-10 ] [ 2.5182138e-10 9.499754000000001e-11 6.67706e-12 ] [ 3.0076936e-10 4.058234e-11 2.3564218e-10 ] [ 1.8748769e-10 3.2928466e-10 7.610841000000001e-11 ] [ 2.3643679e-10 2.7487022e-10 3.0507365e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.8e-06 4.2e-06 -9.7e-06 ] [ -2.4e-06 -7e-07 3.4e-06 ] [ -1.2e-06 -9.7e-06 -8.9e-06 ] [ 8.7e-06 3.2e-06 2.1e-06 ] [ 1e-06 -3.5e-06 1.39e-05 ] [ -3e-07 6.5e-06 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.292624400640001e-15 6.72914180736e-15 -1.554111322176e-14 ] [ -3.84522388992e-15 -1.12152363456e-15 5.44740051072e-15 ] [ -1.92261194496e-15 -1.554111322176e-14 -1.425937192512e-14 ] [ 1.393893660096e-14 5.126965186560001e-15 3.36457090368e-15 ] [ 1.6021766208e-15 -5.6076181728e-15 2.227025502912e-14 ] [ -4.8065298624e-16 1.04141480352e-14 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.807034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.532566031899071e-18 } }