{ "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" [ [ 2.166449 2.681347 1.091002 ] [ 2.041583 4.789781 2.041915 ] [ 2.132392 3.124558 3.564623 ] [ 4.758388 2.994993 0.5845722 ] [ 4.303836 3.011562 3.07876 ] [ 3.921174 5.3024 1.134071 ] [ 3.577747 5.183138 3.725421 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.166449e-10 2.681347e-10 1.091002e-10 ] [ 2.041583e-10 4.789780999999999e-10 2.041915e-10 ] [ 2.132392e-10 3.124558e-10 3.564623e-10 ] [ 4.758388e-10 2.994993e-10 5.845722e-11 ] [ 4.303836000000001e-10 3.011562e-10 3.07876e-10 ] [ 3.921174e-10 5.3024e-10 1.134071e-10 ] [ 3.577747e-10 5.183138e-10 3.725421e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6519007 -4.1845477 -2.6465736 ] [ -16.8648064 7.3126051 -2.86328 ] [ -7.2301147 -5.9035995 5.5793369 ] [ -1.9569714 0.888116 1.7382664 ] [ 11.0572622 -5.4690593 -0.1302866 ] [ 10.3264822 3.2209061 -5.6873374 ] [ 4.0162475 4.1355793 4.0098742 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.044460060623155e-09 -6.704384493562413e-09 -4.240278347146491e-09 ] [ -2.702039852839821e-08 1.171608492836285e-08 -4.587480274804224e-09 ] [ -1.158392073804241e-08 -9.45860909746657e-09 8.939083140746748e-09 ] [ -3.135413824654245e-09 1.422918691758413e-09 2.785009786802182e-09 ] [ 1.771568698689557e-08 -8.762398948228814e-09 -2.087421445235213e-10 ] [ 1.654484835594735e-08 5.160460451212107e-09 -9.112119016881458e-09 ] [ 6.434737847846449e-09 6.625928467924429e-09 6.424526695589103e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.775576 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.367308242605358e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1023849 2.6426351 1.019921 ] [ 1.6874018 4.992974 1.8726255 ] [ 2.1595653 2.9830579 3.5307547 ] [ 4.5294783 3.035929 0.8054673 ] [ 4.675874 2.8443918 3.2617516 ] [ 4.0662389 5.439542 1.1208929 ] [ 3.6806258 5.1492493 3.608951 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1023849e-10 2.6426351e-10 1.019921e-10 ] [ 1.6874018e-10 4.992974e-10 1.8726255e-10 ] [ 2.1595653e-10 2.9830579e-10 3.5307547e-10 ] [ 4.5294783e-10 3.035929e-10 8.054673000000001e-11 ] [ 4.675874e-10 2.8443918e-10 3.261751600000001e-10 ] [ 4.0662389e-10 5.439542000000001e-10 1.1208929e-10 ] [ 3.6806258e-10 5.149249300000001e-10 3.608951e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.42e-05 -1.85e-05 -1.3e-05 ] [ -6.86e-05 7.35e-05 2.31e-05 ] [ -1.52e-05 -2.77e-05 -2.72e-05 ] [ -5.55e-05 -9.7e-06 5.27e-05 ] [ 5.16e-05 2.97e-05 -5.82e-05 ] [ 5.03e-05 -6.58e-05 -2.6e-05 ] [ -1.68e-05 1.85e-05 4.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.683797284736e-14 -2.96402674848e-14 -2.08282960704e-14 ] [ -1.0990931618688e-13 1.177599816288e-13 3.701027994048e-14 ] [ -2.435308463616e-14 -4.438029239616e-14 -4.357920408576e-14 ] [ -8.892080245440001e-14 -1.554111322176e-14 8.443470791616e-14 ] [ 8.267231363328e-14 4.758464563776e-14 -9.324667933055999e-14 ] [ 8.058948402624e-14 -1.0542322164864e-13 -4.16565921408e-14 ] [ -2.691656722944e-14 2.96402674848e-14 7.77055661088e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.881227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505759033381772e-18 } }