{ "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" [ [ 2.096068 2.7039 2.040826 ] [ 2.700744 4.841018 2.002574 ] [ 4.164753 1.488214 0.9121723 ] [ 3.472077 2.802445 4.029704 ] [ 4.572692 3.360808 2.141211 ] [ 3.154153 3.397307 0.264031 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.096068e-10 2.7039e-10 2.040826e-10 ] [ 2.700744e-10 4.841018000000001e-10 2.002574e-10 ] [ 4.164753e-10 1.488214e-10 9.121723000000001e-11 ] [ 3.472077e-10 2.802445e-10 4.029704e-10 ] [ 4.572692e-10 3.360808e-10 2.141211e-10 ] [ 3.154153e-10 3.397307e-10 2.64031e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6398534 -3.3963782 4.2074551 ] [ -3.6193476 8.5481576 3.6336671 ] [ 1.4766139 -1.7805364 -0.0471981 ] [ 1.861376 1.2129897 -4.1904709 ] [ 6.2822437 -4.1270798 11.4595036 ] [ -3.3610327 -0.4571529 -15.0629567 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.22951139981939e-09 -5.441597747434787e-09 6.741086194285725e-09 ] [ -5.79883410726859e-09 1.369565825763384e-08 5.821776475390136e-09 ] [ 2.365796268528309e-09 -2.852733792563397e-09 -7.561969236618047e-11 ] [ 2.982253109718221e-09 1.943423738611206e-09 -6.713874506122735e-09 ] [ 1.006526398230809e-08 -6.61231076773594e-09 1.836014875389344e-08 ] [ -5.384968013684301e-09 -7.324396885109203e-10 -2.413351706486272e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.681147 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.230655414432806e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2088208 3.7943755 2.1006607 ] [ 1.379981 5.8273477 2.1341265 ] [ 4.8123185 1.6123134 0.5549957 ] [ 3.5706878 2.870879 3.5911053 ] [ 5.2750563 1.783267 2.7086526 ] [ 2.9136226 2.7055094 0.3009776 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2088208e-10 3.7943755e-10 2.1006607e-10 ] [ 1.379981e-10 5.8273477e-10 2.1341265e-10 ] [ 4.8123185e-10 1.6123134e-10 5.549957e-11 ] [ 3.5706878e-10 2.870879e-10 3.5911053e-10 ] [ 5.2750563e-10 1.783267e-10 2.7086526e-10 ] [ 2.9136226e-10 2.7055094e-10 3.009776e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.6361778 -0.5815198 0.006214 ] [ -0.3765594 0.4468263 0.0625926 ] [ 0.2689532 -0.2094971 -0.0731709 ] [ -0.4157692 0.3411235 -0.1928351 ] [ 0.2183762 -0.2532229 0.0198194 ] [ -0.3311788 0.2562901 0.1773799 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.019269197831978e-09 -9.316974280922919e-10 9.9559255216512e-12 ] [ -6.033146670224755e-10 7.15894651418567e-10 1.002844003550861e-10 ] [ 4.309105291293465e-10 -3.356513557453997e-10 -1.172327053028947e-10 ] [ -6.661356918887195e-10 5.465400965054689e-10 -3.089558888896301e-10 ] [ 3.498772421791449e-10 -4.057078102311763e-10 3.175417931828352e-11 ] [ -5.306069306645991e-10 4.106220063624941e-10 2.841939287798419e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.625147 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.182989197836326e-18 } }