{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.7208211 -1.0697675 -6.9055536 ] [ 1.7436756 -14.4666037 -4.4345714 ] [ -5.7378271 -1.5710365 -28.2631779 ] [ -3.1798876 -18.0054432 22.8584015 ] [ 29.5891801 6.3828855 2.8735023 ] [ 6.2562252 20.2272929 -7.4792867 ] [ -5.9505452 8.5026726 21.3506856 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.640276837179933e-08 -1.713956478191664e-09 -1.106391653160128e-08 ] [ 2.793676280579413e-09 -2.317805423051878e-08 -7.104966620348326e-09 ] [ -9.193012433812663e-09 -2.51707795072346e-09 -4.528260286089124e-08 ] [ -5.094741569491822e-09 -2.884790014218234e-08 3.662319647215966e-08 ] [ 4.740709258486061e-08 1.022650992134332e-08 4.603858204875028e-09 ] [ 1.00235777498998e-08 3.240769578645383e-08 -1.198313829100038e-08 ] [ -9.53382440045366e-09 1.362278325403675e-08 3.420756930637122e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.208396 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.116218326946824e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6895516 3.5779792 1.9400312 ] [ 4.7708422 1.4903348 2.1787952 ] [ 2.9533156 1.9720073 0.7441503 ] [ 3.7534782 1.6972568 4.3027603 ] [ 6.1121052 3.4372548 2.1144688 ] [ 4.8483368 5.0432572 3.3102978 ] [ 2.8963135 3.872519 3.9526357 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6895516e-10 3.5779792e-10 1.9400312e-10 ] [ 4.7708422e-10 1.4903348e-10 2.1787952e-10 ] [ 2.9533156e-10 1.9720073e-10 7.441503000000001e-11 ] [ 3.7534782e-10 1.6972568e-10 4.3027603e-10 ] [ 6.1121052e-10 3.4372548e-10 2.1144688e-10 ] [ 4.8483368e-10 5.0432572e-10 3.3102978e-10 ] [ 2.8963135e-10 3.872519e-10 3.9526357e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.42e-05 -2.18e-05 -2.51e-05 ] [ 3.1e-05 1.88e-05 3.5e-06 ] [ -2.41e-05 -5.9e-06 1.54e-05 ] [ -2.73e-05 1.36e-05 -1.38e-05 ] [ -2e-06 -2.09e-05 -2.17e-05 ] [ 8.9e-06 2.11e-05 4.27e-05 ] [ 2.78e-05 -5e-06 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.275090801536e-14 -3.492745033344e-14 -4.021463318208e-14 ] [ 4.96674752448e-14 3.012092047104e-14 5.6076181728e-15 ] [ -3.861245656128e-14 -9.45284206272e-15 2.467351996032e-14 ] [ -4.373942174784e-14 2.178960204288e-14 -2.211003736704e-14 ] [ -3.2043532416e-15 -3.348549137472e-14 -3.476723267136e-14 ] [ 1.425937192512e-14 3.380592669888e-14 6.841294170816001e-14 ] [ 4.454051005824e-14 -8.010883104e-15 -1.6021766208e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }