{ "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" [ [ 0.7640613 0.2474373 1.904604 ] [ 0.7957024 2.286987 0.9838997 ] [ 2.800961 0.7755534 0.6501687 ] [ 2.57314 0.3921087 2.718963 ] [ 2.488072 2.896141 0.3463324 ] [ 2.197679 2.730757 1.909926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.640613000000001e-11 2.474373e-11 1.904604e-10 ] [ 7.957024000000001e-11 2.286987e-10 9.838997e-11 ] [ 2.800961e-10 7.755534e-11 6.501687e-11 ] [ 2.57314e-10 3.921087e-11 2.718963e-10 ] [ 2.488072e-10 2.896141e-10 3.463324e-11 ] [ 2.197679e-10 2.730757e-10 1.909926e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.7340964 1.4372965 -16.6805017 ] [ -318.3325183 -108.505432 -144.8372299 ] [ -5.7416124 2.6155857 -2.9126745 ] [ 29.147566 5.9744026 19.4253613 ] [ 255.2040959 134.4381096 -1053.0646455 ] [ 66.4565652 -35.9599624 1198.0696903 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.283274423029344e-08 2.302802849457667e-09 -2.672510984695466e-08 ] [ -5.100249184606482e-07 -1.738448663802042e-07 -2.320548235672148e-07 ] [ -9.199077152975378e-09 4.190630258238803e-09 -4.666618987900329e-09 ] [ 4.669954879842497e-08 9.572048168966735e-09 3.112285972545309e-08 ] [ 4.088820359833811e-07 2.15393596145668e-07 -1.68719555521114e-06 ] [ 1.064751550621109e-07 -5.761421104212706e-08 1.919519247887757e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 131.50581 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.106955342813669e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.8127733 0.5445222 2.0746192 ] [ 0.6712644 2.1295569 0.534572 ] [ 2.4835338 0.860047 0.6536472 ] [ 2.9150038 0.4050244 2.7713137 ] [ 2.6816467 3.0188469 0.2316784 ] [ 2.0553935 2.3709869 2.2480633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.127733000000001e-11 5.445222e-11 2.0746192e-10 ] [ 6.712644e-11 2.1295569e-10 5.345720000000001e-11 ] [ 2.4835338e-10 8.60047e-11 6.536472e-11 ] [ 2.9150038e-10 4.050244e-11 2.7713137e-10 ] [ 2.6816467e-10 3.018846900000001e-10 2.316784e-11 ] [ 2.0553935e-10 2.3709869e-10 2.2480633e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.29e-05 2.67e-05 3.2e-06 ] [ -2.63e-05 2.72e-05 -3.59e-05 ] [ 1.24e-05 -3.26e-05 -8.9e-06 ] [ -1.01e-05 3.57e-05 1.17e-05 ] [ -1.17e-05 1.93e-05 -1.95e-05 ] [ 1.29e-05 -7.62e-05 4.94e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.668984461632e-14 4.277811577536e-14 5.126965186560001e-15 ] [ -4.213724512704e-14 4.357920408576e-14 -5.751814068672e-14 ] [ 1.986699009792e-14 -5.223095783807999e-14 -1.425937192512e-14 ] [ -1.618198387008e-14 5.719770536256001e-14 1.874546646336e-14 ] [ -1.874546646336e-14 3.092200878144e-14 -3.12424441056e-14 ] [ 2.066807840832e-14 -1.2208585850496e-13 7.914752506752001e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }