{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -75.5928421 -7.0999486 -20.7082081 ] [ -67.5386965 -37.9196601 -3.6109026 ] [ -30.2717019 31.5704477 2.5297859 ] [ 47.7895982 2.5427837 5.0683004 ] [ 42.4038573 -41.8553082 9.0513753 ] [ 21.4603138 3.6911771 -9.114268 ] [ 61.7494713 49.0705084 16.7839171 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.211130853102715e-07 -1.137537174952101e-08 -3.317820714982953e-08 ] [ -1.082089214231176e-07 -6.07539933814421e-08 -5.785303773369849e-09 ] [ -4.85006134555934e-08 5.058143362985904e-08 4.05316385800266e-09 ] [ 7.656737758428845e-08 4.073988629456066e-09 8.120312474972853e-09 ] [ 6.793846935753032e-08 -6.70595968069086e-08 1.450190201122474e-08 ] [ 3.438321332866775e-08 5.913917701575881e-09 -1.460266722561391e-08 ] [ 9.89335600787136e-08 7.861962197698072e-08 2.689079980461304e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 39.558876 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.338030679450338e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2283565 2.2130985 1.8706348 ] [ 1.3598961 2.3645094 4.6548937 ] [ 2.3373239 4.8492107 2.9195664 ] [ 5.0441596 2.1912635 1.3802928 ] [ 4.3511655 1.4905612 4.0123954 ] [ 4.7140746 4.9595976 1.4581135 ] [ 3.7983928 4.0197232 5.1872513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2283565e-10 2.2130985e-10 1.8706348e-10 ] [ 1.3598961e-10 2.3645094e-10 4.6548937e-10 ] [ 2.3373239e-10 4.8492107e-10 2.9195664e-10 ] [ 5.044159600000001e-10 2.1912635e-10 1.3802928e-10 ] [ 4.3511655e-10 1.4905612e-10 4.0123954e-10 ] [ 4.7140746e-10 4.959597600000001e-10 1.4581135e-10 ] [ 3.7983928e-10 4.0197232e-10 5.1872513e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.4e-06 -1.28e-05 5.07e-05 ] [ 4.75e-05 -1.23e-05 -1.79e-05 ] [ -4.8e-05 -8e-07 -7e-07 ] [ 1.66e-05 3.24e-05 -1.05e-05 ] [ -6.98e-05 2.08e-05 1.1e-06 ] [ 4.11e-05 -2.13e-05 3.02e-05 ] [ 2.2e-05 -6e-06 -5.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.50604603596e-14 -2.05078609152e-14 8.123035534379999e-14 ] [ 7.6103390115e-14 -1.97067725982e-14 -2.86789617486e-14 ] [ -7.690447843199999e-14 -1.2817413072e-15 -1.1215236438e-15 ] [ 2.65961321244e-14 5.19105229416e-14 -1.6822854657e-14 ] [ -1.118319290532e-13 3.332527398719999e-14 1.7623942974e-15 ] [ 6.58494596574e-14 -3.41263623042e-14 4.838573434679999e-14 ] [ 3.5247885948e-14 -9.613059803999999e-15 -8.475514393859999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.570653 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.9753466314722e-18 } }