{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.6469801 10.072395 6.1751226 ] [ 8.6526202 -5.5357683 -7.7716585 ] [ -5.0473138 -13.0255057 -8.1652702 ] [ 5.0239136 -1.6729217 4.2869721 ] [ -0.975951 -5.9744321 6.3661225 ] [ 0.499279 2.6374128 -5.3361844 ] [ 7.4944321 13.49882 4.4448959 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.506922570234285e-08 1.613775578446282e-08 9.89363706029371e-09 ] [ 1.386302579310182e-08 -8.869278548425761e-09 -1.24515695535416e-08 ] [ -8.086688168201208e-09 -2.086916070663714e-08 -1.308220501695494e-08 ] [ 8.049196914839163e-09 -2.680316036168992e-09 6.868486472641879e-09 ] [ -1.563645875246381e-09 -9.572095433177047e-09 1.019965263464885e-08 ] [ 7.999331410564032e-10 4.225601127558666e-09 -8.549509889957675e-09 ] [ 1.200740389679305e-08 2.162749381238746e-08 7.121508292869775e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 15.120589 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.422585418852565e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3135671 4.6872212 3.0280509 ] [ 5.282794 1.9262971 1.4259766 ] [ 3.5735446 1.0166764 1.2933698 ] [ 5.8139405 2.0373992 4.8489183 ] [ 4.0111301 1.436604 4.9666312 ] [ 2.9024004 4.2208066 1.0160293 ] [ 4.6627295 4.6870335 3.3424334 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3135671e-10 4.687221199999999e-10 3.0280509e-10 ] [ 5.282794e-10 1.9262971e-10 1.4259766e-10 ] [ 3.5735446e-10 1.0166764e-10 1.2933698e-10 ] [ 5.8139405e-10 2.0373992e-10 4.848918300000001e-10 ] [ 4.0111301e-10 1.436604e-10 4.966631200000001e-10 ] [ 2.9024004e-10 4.2208066e-10 1.0160293e-10 ] [ 4.6627295e-10 4.6870335e-10 3.3424334e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.7226242 0.778159 0.5681571 ] [ -0.2085704 -0.2491944 0.0587504 ] [ 0.6909314 -0.4660407 -0.3181625 ] [ -2.1263776 0.6042953 -0.5490976 ] [ 1.2408002 -0.9446701 0.6271789 ] [ -0.0123972 0.1076707 0.2328619 ] [ -0.3070106 0.1697801 -0.6196882 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.157771598864303e-09 1.246748157065107e-09 9.102880225615277e-10 ] [ -3.341666186709043e-10 -3.992534417142835e-10 9.412851734264833e-11 ] [ 1.106994135656613e-09 -7.466795138812665e-10 -5.097525191152801e-10 ] [ -3.406832477712814e-09 9.681878017193223e-10 -8.7975133725739e-10 ] [ 1.987981071523964e-09 -1.513528348588798e-09 1.004851370639061e-09 ] [ -1.986250400338176e-11 1.725074782851706e-10 3.730858920550675e-10 ] [ -4.918852056577805e-10 2.720177068970861e-10 -9.928499462256348e-10 ] ] } "relaxed-potential-energy" { "source-value" -26.11743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.184473574138055e-18 } }