{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6182764 -11.2145601 3.7559425 ] [ -0.6816373 -0.4152848 -5.3669704 ] [ -1.3760705 0.9031382 4.2486728 ] [ 6.7589588 11.371043 -0.9097989 ] [ 0.9492437 -1.0401754 0.7990805 ] [ -2.2549196 1.4746036 -2.4821955 ] [ 1.2227012 -1.0787646 -0.044731 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.39929447647239e-09 -1.796770600477651e-08 6.017683262569104e-09 ] [ -1.092103345925236e-09 -6.653595975336039e-10 -8.598834499405624e-09 ] [ -2.204707983672566e-09 1.446986909391394e-09 6.807124229588874e-09 ] [ 1.082904577031042e-08 1.82184192487115e-08 -1.457658527209557e-09 ] [ 1.520856063581689e-09 -1.666544707411289e-09 1.280268095237174e-09 ] [ -3.612779464903688e-09 2.362575412867515e-09 -3.976915598354966e-09 ] [ 1.958983276864105e-09 -1.728371421466664e-09 -7.166696242500479e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -17.993996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.882955970596872e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7903072 0.4503948 2.1887084 ] [ 1.369818 2.3152923 2.6883417 ] [ 1.5261498 2.7257994 4.9818106 ] [ 3.5314873 2.7147853 1.732924 ] [ 3.129092 0.9951732 5.4541651 ] [ 4.5612498 1.4408774 3.5339732 ] [ 3.871244 3.2623646 4.9978521 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7903072e-10 4.503948e-11 2.1887084e-10 ] [ 1.369818e-10 2.3152923e-10 2.6883417e-10 ] [ 1.5261498e-10 2.7257994e-10 4.9818106e-10 ] [ 3.5314873e-10 2.7147853e-10 1.732924e-10 ] [ 3.129092e-10 9.951732e-11 5.4541651e-10 ] [ 4.5612498e-10 1.4408774e-10 3.5339732e-10 ] [ 3.871244e-10 3.262364600000001e-10 4.997852100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.27e-05 3.4e-06 1.02e-05 ] [ -1.1e-05 -3.3e-06 3.94e-05 ] [ -2.89e-05 1.26e-05 2.17e-05 ] [ 5.99e-05 1.54e-05 -2.39e-05 ] [ 5.6e-06 -9.61e-05 -1.81e-05 ] [ -1.63e-05 7e-06 4.56e-05 ] [ 3.4e-06 6.09e-05 -7.5e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.034764308416e-14 5.44740051072e-15 1.634220153216e-14 ] [ -1.76239428288e-14 -5.28718284864e-15 6.312575885952001e-14 ] [ -4.630290434112001e-14 2.018742542208e-14 3.476723267136e-14 ] [ 9.597037958592001e-14 2.467351996032e-14 -3.829202123712e-14 ] [ 8.972189076479999e-15 -1.5396917325888e-13 -2.899939683648e-14 ] [ -2.611547891904e-14 1.12152363456e-14 7.305925390848e-14 ] [ 5.44740051072e-15 9.757255620672e-14 -1.2016324656e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.165356 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.391063855410901e-18 } }