{ "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" [ [ 0.8494568 1.09498 0.2360667 ] [ 0.557157 2.835915 1.114432 ] [ 0.135541 1.869398 2.917972 ] [ 1.620291 0.3348641 1.837353 ] [ 2.814436 1.836887 0.4161362 ] [ 2.451507 2.913738 2.050042 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.494568e-11 1.09498e-10 2.360667e-11 ] [ 5.57157e-11 2.835915e-10 1.114432e-10 ] [ 1.35541e-11 1.869398e-10 2.917972e-10 ] [ 1.620291e-10 3.348641e-11 1.837353e-10 ] [ 2.814436e-10 1.836887e-10 4.161362e-11 ] [ 2.451507e-10 2.913738e-10 2.050042e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -53.5404978 -9.9578981 -142.5680702 ] [ -25.3596305 79.6345061 -9.2356787 ] [ -9.9205698 -19.4101768 36.6726128 ] [ 48.091607 -58.3258302 114.9193402 ] [ 41.9179024 -49.5479966 -87.9578369 ] [ -1.1888112 57.6073956 88.1696328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.57813345478884e-08 -1.595431165957299e-08 -2.284192308289117e-07 ] [ -4.063060743397374e-08 1.275885449335504e-07 -1.479718861227149e-08 ] [ -1.589450512952605e-08 -3.109853173076889e-08 5.875600333588932e-08 ] [ 7.705124902691084e-08 -9.344828230509153e-08 1.841210816631369e-07 ] [ 6.715988377157252e-08 -7.938464241403144e-08 -1.40923991058363e-07 ] [ -1.904685526877501e-09 9.22972231759144e-08 1.4126332550052e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 43.285419 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.935088691469964e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8097861 1.1457026 -0.3257386 ] [ -0.0163685 3.1311715 1.0747566 ] [ 0.2004625 1.9171862 3.3923865 ] [ 1.6838135 0.2502022 2.0180759 ] [ 3.3520425 1.4724701 0.2419996 ] [ 2.3986527 2.9690495 2.1705219 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.097861e-11 1.1457026e-10 -3.257386e-11 ] [ -1.63685e-12 3.1311715e-10 1.0747566e-10 ] [ 2.004625e-11 1.9171862e-10 3.3923865e-10 ] [ 1.6838135e-10 2.502022e-11 2.0180759e-10 ] [ 3.3520425e-10 1.4724701e-10 2.419996e-11 ] [ 2.3986527e-10 2.9690495e-10 2.1705219e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.56e-05 1.93e-05 -0.0 ] [ 1.39e-05 -2.92e-05 5.2e-06 ] [ 2.56e-05 1.07e-05 -3.47e-05 ] [ -1.37e-05 -8e-07 2.52e-05 ] [ 1.95e-05 1.38e-05 -1.2e-06 ] [ -1.97e-05 -1.38e-05 5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.10157218304e-14 3.09220090362e-14 0.0 ] [ 2.22702552126e-14 -4.67835577128e-14 8.331318496799998e-15 ] [ 4.10157218304e-14 1.71432899838e-14 -5.55955291998e-14 ] [ -2.19498198858e-14 -1.2817413072e-15 4.037485117679999e-14 ] [ 3.1242444363e-14 2.21100375492e-14 -1.9226119608e-15 ] [ -3.15628796898e-14 -2.21100375492e-14 8.6517538236e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.70725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.31766721043965e-18 } }