{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.635409 0.2945373 0.4894103 ] [ 0.6913641 0.4672635 2.355287 ] [ 2.952385 0.4157679 2.192681 ] [ 2.385934 1.774442 0.4759126 ] [ 2.093707 2.943435 1.550224 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.35409e-11 2.945373e-11 4.894103e-11 ] [ 6.913641e-11 4.672635e-11 2.355287e-10 ] [ 2.952385e-10 4.157679e-11 2.192681e-10 ] [ 2.385934000000001e-10 1.774442e-10 4.759126e-11 ] [ 2.093707e-10 2.943435e-10 1.550224e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1945667 -6.4673145 -96.3530775 ] [ 6.979218 11.6865397 95.8511501 ] [ -4.7990449 3.4697283 -3.0309516 ] [ 163.6719362 -669.5791308 -609.317477 ] [ -167.046676 660.8901773 612.8503559 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.913906838726207e-09 -1.036178009126084e-08 -1.543746481126305e-07 ] [ 1.118193991106653e-08 1.872390068539105e-08 1.535704717670116e-07 ] [ -7.688917540949474e-09 5.559117562788128e-09 -4.856119792296354e-09 ] [ 2.622313496607092e-07 -1.072784029143345e-06 -9.762342162942418e-07 ] [ -2.676382788695525e-07 1.058862790986427e-06 9.818945122719394e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 93.896895 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.504394099347124e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.9118279 0.6122488 0.6247984 ] [ 0.705683 0.7657893 2.8251938 ] [ 2.7119332 0.4981613 1.9245554 ] [ 2.7978358 1.5923898 0.0002117 ] [ 1.6315192 2.4268565 1.6887556 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.118279000000001e-11 6.122488000000001e-11 6.247984e-11 ] [ 7.05683e-11 7.657893e-11 2.8251938e-10 ] [ 2.7119332e-10 4.981613e-11 1.9245554e-10 ] [ 2.7978358e-10 1.5923898e-10 2.117e-14 ] [ 1.6315192e-10 2.4268565e-10 1.6887556e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.74e-05 -2.13e-05 -2.01e-05 ] [ -2.94e-05 -4.26e-05 7.08e-05 ] [ -8.1e-06 -8.8e-06 -3.8e-06 ] [ 6.02e-05 3e-07 -5.43e-05 ] [ -5.3e-06 7.24e-05 7.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.787787320192e-14 -3.412636202304e-14 -3.220375007808e-14 ] [ -4.710399265152e-14 -6.825272404608e-14 1.1343410475264e-13 ] [ -1.297763062848e-14 -1.409915426304e-14 -6.08827115904e-15 ] [ 9.645103257216e-14 4.8065298624e-16 -8.699819050944e-14 ] [ -8.491536090240001e-15 1.1599758734592e-13 1.2016324656e-14 ] ] } "relaxed-potential-energy" { "source-value" -28.867458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.625076630952593e-18 } }