{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.6495342 -8.2720533 1.0929153 ] [ 6.3467297 -4.2325535 -4.6014772 ] [ 4.2050876 -12.8920353 3.5710338 ] [ 8.5404905 8.6490084 -1.1396769 ] [ -5.3045833 1.1999836 -15.1858643 ] [ 5.4151161 1.9843947 11.1773037 ] [ -5.5533062 13.5632554 5.0857655 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.186896458005003e-08 -1.325329040327149e-08 1.751043342174618e-09 ] [ 1.0168581943877e-08 -6.781298263985213e-09 -7.372379190984246e-09 ] [ 6.737293041135982e-09 -2.065531755218832e-08 5.721426866446582e-09 ] [ 1.36833742092645e-08 1.385723905158281e-08 -1.82596368444582e-09 ] [ -8.498879346346113e-09 1.922585669263419e-09 -2.433043674810136e-08 ] [ 8.675972414337674e-09 3.17935079477943e-09 1.790801467172134e-08 ] [ -8.897377361783688e-09 2.173073070381935e-08 8.148294582971222e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.3886133 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.504221673099194e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.307091 2.1556473 2.8164305 ] [ 5.4476388 2.0990468 1.5508806 ] [ 4.4317038 1.2708531 3.5975852 ] [ 5.4479626 4.4513129 2.3983497 ] [ 3.416477 3.4411328 0.9811948 ] [ 4.8788528 3.4344482 4.6104744 ] [ 2.967183 4.4960139 3.3980679 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.307091e-10 2.1556473e-10 2.8164305e-10 ] [ 5.4476388e-10 2.0990468e-10 1.5508806e-10 ] [ 4.4317038e-10 1.2708531e-10 3.5975852e-10 ] [ 5.4479626e-10 4.451312899999999e-10 2.3983497e-10 ] [ 3.416477e-10 3.4411328e-10 9.811948e-11 ] [ 4.8788528e-10 3.4344482e-10 4.6104744e-10 ] [ 2.967183e-10 4.496013900000001e-10 3.3980679e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.92e-05 -1.43e-05 1.7e-05 ] [ 4e-06 -4.2e-06 -1e-06 ] [ 3.2e-06 -1.69e-05 1.21e-05 ] [ 3.58e-05 2.52e-05 1.08e-05 ] [ -4.2e-06 1.77e-05 2e-07 ] [ 1.54e-05 -5.2e-06 -1.45e-05 ] [ -2.5e-05 -2.4e-06 -2.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.678355732736e-14 -2.291112567744e-14 2.72370025536e-14 ] [ 6.4087064832e-15 -6.72914180736e-15 -1.6021766208e-15 ] [ 5.126965186560001e-15 -2.707678489152e-14 1.938633711168e-14 ] [ 5.735792302464001e-14 4.037485084416e-14 1.730350750464e-14 ] [ -6.72914180736e-15 2.835852618816e-14 3.2043532416e-16 ] [ 2.467351996032e-14 -8.33131842816e-15 -2.32315610016e-14 ] [ -4.005441552e-14 -3.84522388992e-15 -3.92533272096e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }