{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5242483 -0.6705916 4.6831841 ] [ 0.448808 -0.3118799 -0.1608709 ] [ -3.1871831 2.7626153 -4.2012258 ] [ 4.2262169 -5.1447434 -3.4110096 ] [ 1.529299 -0.7604857 3.351236 ] [ 0.4523223 2.4105987 -2.8518655 ] [ 2.0547852 1.7144865 2.5905517 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.850821473754145e-09 -1.074406183624865e-09 7.50328807592229e-09 ] [ 7.190696848280064e-10 -4.996866842774419e-10 -2.577435949470547e-10 ] [ -5.106430249028868e-09 4.426197645924378e-09 -6.731105755461777e-09 ] [ 6.771145911609851e-09 -8.242787595495103e-09 -5.46503983444436e-09 ] [ 2.450207104012819e-09 -1.218432408992723e-09 5.369271969983309e-09 ] [ 7.247002141264838e-10 3.862204879270873e-09 -4.569192229766103e-09 ] [ 3.292128808205852e-09 2.746910186977219e-09 4.150521368713695e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.6629985 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.227747704192547e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6208112 3.1938568 4.6619592 ] [ 1.8020757 3.9824339 2.7191043 ] [ 3.4440933 3.5687336 1.2378368 ] [ 4.2901252 1.6405954 2.0240809 ] [ 4.6529918 2.4043824 4.1065371 ] [ 5.0725463 5.0286037 1.7655152 ] [ 5.8912755 4.2400421 3.7083816 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6208112e-10 3.1938568e-10 4.6619592e-10 ] [ 1.8020757e-10 3.9824339e-10 2.7191043e-10 ] [ 3.4440933e-10 3.5687336e-10 1.2378368e-10 ] [ 4.290125200000001e-10 1.6405954e-10 2.0240809e-10 ] [ 4.6529918e-10 2.4043824e-10 4.1065371e-10 ] [ 5.0725463e-10 5.0286037e-10 1.7655152e-10 ] [ 5.891275500000001e-10 4.2400421e-10 3.7083816e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-07 -5.1e-06 1.48e-05 ] [ -5.8e-06 1.6e-06 -1.22e-05 ] [ 4.7e-06 1.6e-06 3e-07 ] [ 1.6e-06 5.8e-06 1.6e-06 ] [ -4.7e-06 -2.9e-06 2.2e-06 ] [ -6e-07 -2.7e-06 5.6e-06 ] [ 5.1e-06 1.6e-06 -1.23e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2043532416e-16 -8.17110076608e-15 2.371221398784e-14 ] [ -9.292624400640001e-15 2.56348259328e-15 -1.954655477376e-14 ] [ 7.53023011776e-15 2.56348259328e-15 4.8065298624e-16 ] [ 2.56348259328e-15 9.292624400640001e-15 2.56348259328e-15 ] [ -7.53023011776e-15 -4.646312200320001e-15 3.52478856576e-15 ] [ -9.6130597248e-16 -4.32587687616e-15 8.972189076479999e-15 ] [ 8.17110076608e-15 2.56348259328e-15 -1.970677243584e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.116255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.261673373425111e-18 } }