{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4178617 -5.7133135 -5.0649728 ] [ -6.2454163 -2.286108 7.2090828 ] [ -4.0758786 0.9977007 -3.5919479 ] [ 3.6314203 -2.7173828 -11.43285 ] [ 5.8271692 -11.6992003 9.4616218 ] [ -4.4508378 15.7940062 -1.9724699 ] [ 7.7314051 5.6242977 5.3915359 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.873841488067744e-09 -9.15373731700102e-09 -8.114981005147913e-09 ] [ -1.000625998302324e-08 -3.662748790223847e-09 1.15502239195714e-08 ] [ -6.530277402139036e-09 1.598492736095795e-09 -5.754934948511656e-09 ] [ 5.818176704958522e-09 -4.353727191924042e-09 -1.831744497911328e-08 ] [ 9.336154257685838e-09 -1.874418520271634e-08 1.515918924281161e-08 ] [ -7.131028266132907e-09 2.530478748241025e-08 -3.160245159011714e-09 ] [ 1.238707649715389e-08 9.011118283359212e-09 8.638192769183887e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.68153 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.070499115717382e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2171698 1.4111396 0.9437921 ] [ 2.2422997 2.444668 4.5091993 ] [ 1.4316391 3.1672855 2.3726463 ] [ 4.4549695 2.1021433 1.4512482 ] [ 4.5850919 1.6192948 3.7952057 ] [ 3.5644298 4.3099834 2.0133938 ] [ 4.2099082 4.1446023 4.3226156 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2171698e-10 1.4111396e-10 9.437921000000001e-11 ] [ 2.2422997e-10 2.444668e-10 4.5091993e-10 ] [ 1.4316391e-10 3.167285500000001e-10 2.3726463e-10 ] [ 4.4549695e-10 2.1021433e-10 1.4512482e-10 ] [ 4.5850919e-10 1.6192948e-10 3.7952057e-10 ] [ 3.5644298e-10 4.3099834e-10 2.0133938e-10 ] [ 4.2099082e-10 4.1446023e-10 4.3226156e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.53e-05 -1.33e-05 3.4e-06 ] [ 1.63e-05 3.74e-05 -2.29e-05 ] [ 3.6e-06 -1.5e-06 -7e-06 ] [ -3.3e-05 8.2e-06 8.4e-06 ] [ 7.5e-06 2.4e-05 -7.4e-06 ] [ -4.1e-06 -9.8e-06 1.93e-05 ] [ -5.6e-06 -4.5e-05 6.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.451330229824e-14 -2.130894905664e-14 5.44740051072e-15 ] [ 2.611547891904e-14 5.992140561792e-14 -3.668984461632e-14 ] [ 5.76783583488e-15 -2.4032649312e-15 -1.12152363456e-14 ] [ -5.28718284864e-14 1.313784829056e-14 1.345828361472e-14 ] [ 1.2016324656e-14 3.84522388992e-14 -1.185610699392e-14 ] [ -6.568924145279999e-15 -1.570133088384e-14 3.092200878144e-14 ] [ -8.972189076479999e-15 -7.209794793600001e-14 1.009371271104e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }