{ "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" [ [ 2.327038 2.33879 1.333944 ] [ 3.095823 1.457233 3.921802 ] [ 1.16952 4.791902 2.053879 ] [ 1.997895 3.950607 4.032131 ] [ 4.742513 1.791132 2.167365 ] [ 3.563011 4.139404 2.001972 ] [ 4.473125 3.165685 4.251983 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.327038e-10 2.33879e-10 1.333944e-10 ] [ 3.095823e-10 1.457233e-10 3.921802e-10 ] [ 1.16952e-10 4.791902e-10 2.053879e-10 ] [ 1.997895e-10 3.950607e-10 4.032131e-10 ] [ 4.742513e-10 1.791132e-10 2.167365e-10 ] [ 3.563011e-10 4.139404e-10 2.001972e-10 ] [ 4.473124999999999e-10 3.165685e-10 4.251983e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.30139 -0.3601099 0.8599953 ] [ -1.1945222 -0.214486 -1.0569211 ] [ 0.4035106 -0.5426636 -0.4052958 ] [ 1.2817278 -1.0998775 0.1949879 ] [ -1.2481256 0.7315235 0.508629 ] [ 0.4037853 0.2394123 0.6195429 ] [ 0.0522342 1.2462011 -0.7209382 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.82880011742912e-10 -5.76959662698626e-10 1.377864363657882e-09 ] [ -1.913835541866582e-09 -3.436444546889089e-10 -1.693374276450219e-09 ] [ 6.464952495649805e-10 -8.69442932879163e-10 -6.493554552684327e-10 ] [ 2.053554315389419e-09 -1.762198016243952e-09 3.124050547188883e-10 ] [ -1.999717656141973e-09 1.172029849265789e-09 8.149134924608832e-10 ] [ 6.469353674827143e-10 3.835807897919558e-10 9.926171499626323e-10 ] [ 8.368841404619137e-11 1.996634267235243e-09 -1.155070329081635e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.882281085572458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.262880647387824e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1797769 2.33266 1.7621981 ] [ 2.9371368 1.4552257 3.8089477 ] [ 1.4609079 4.5473428 1.8894948 ] [ 2.1078314 3.6522417 3.9432963 ] [ 4.4913183 2.05794 2.0998195 ] [ 3.7679874 4.296053 2.1176286 ] [ 4.4239664 3.2932898 4.1416911 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1797769e-10 2.33266e-10 1.7621981e-10 ] [ 2.9371368e-10 1.4552257e-10 3.8089477e-10 ] [ 1.4609079e-10 4.5473428e-10 1.8894948e-10 ] [ 2.1078314e-10 3.6522417e-10 3.9432963e-10 ] [ 4.4913183e-10 2.05794e-10 2.0998195e-10 ] [ 3.7679874e-10 4.296053e-10 2.1176286e-10 ] [ 4.423966400000001e-10 3.2932898e-10 4.1416911e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.2e-06 -2.63e-05 -1.54e-05 ] [ 4.2e-06 -7e-07 6.3e-06 ] [ 1.2e-06 9.3e-06 1.69e-05 ] [ 1.77e-05 3.7e-06 -9.3e-06 ] [ -1.35e-05 3.1e-06 6.7e-06 ] [ 4.3e-06 1.22e-05 -2.5e-06 ] [ -1.91e-05 -1.3e-06 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.33131842816e-15 -4.213724512704e-14 -2.467351996032e-14 ] [ 6.72914180736e-15 -1.12152363456e-15 1.009371271104e-14 ] [ 1.92261194496e-15 1.490024257344e-14 2.707678489152e-14 ] [ 2.835852618816e-14 5.928053496960001e-15 -1.490024257344e-14 ] [ -2.16293843808e-14 4.96674752448e-15 1.073458335936e-14 ] [ 6.889359469440001e-15 1.954655477376e-14 -4.005441552e-15 ] [ -3.060157345728e-14 -2.08282960704e-15 -4.16565921408e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }