{ "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" [ [ -2.262484 -0.9218764 -7.7133564 ] [ -1.9634099 -0.5225812 8.1865218 ] [ 3.1426348 -1.928184 2.5206327 ] [ 4.8650378 -10.9415645 -14.7851704 ] [ -3.7817787 14.314206 11.7913723 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.624898969734068e-09 -1.477008815347269e-09 -1.235815929197805e-08 ] [ -3.145729438827266e-09 -8.37267381109609e-10 1.311625383362953e-08 ] [ 5.035056004272484e-09 -3.089291325400627e-09 4.03849878156398e-09 ] [ 7.794649822468266e-09 -1.753031883687524e-08 -2.368845434942418e-08 ] [ -6.059077418179416e-09 2.293388619851508e-08 1.889186102620873e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2.2804494 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.653682713597388e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6067451 0.396529 0.3248271 ] [ 0.8383153 0.8293412 2.6257158 ] [ 3.0632987 0.2461682 2.1313526 ] [ 2.6652045 1.5288373 0.1996908 ] [ 1.5852355 2.8945701 1.7819286 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.067451e-11 3.96529e-11 3.248271e-11 ] [ 8.383153e-11 8.293412e-11 2.6257158e-10 ] [ 3.0632987e-10 2.461682e-11 2.1313526e-10 ] [ 2.6652045e-10 1.5288373e-10 1.996908e-11 ] [ 1.5852355e-10 2.8945701e-10 1.7819286e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.7e-06 -3.7e-06 -1.9e-06 ] [ -3.1e-06 -1.6e-06 1.1e-06 ] [ 5.4e-06 -4e-06 3.4e-06 ] [ 4.7e-06 8e-07 -5.5e-06 ] [ -1.3e-06 8.4e-06 3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.13240673856e-15 -5.928053496960001e-15 -3.04413557952e-15 ] [ -4.96674752448e-15 -2.56348259328e-15 1.76239428288e-15 ] [ 8.65175375232e-15 -6.4087064832e-15 5.44740051072e-15 ] [ 7.53023011776e-15 1.28174129664e-15 -8.8119714144e-15 ] [ -2.08282960704e-15 1.345828361472e-14 4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }