{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2934362 2.840867 1.110891 ] [ 0.7634727 2.370483 2.358735 ] [ 2.954483 0.5132865 0.5514058 ] [ 1.977096 2.170821 0.0967804 ] [ 2.774594 2.595093 2.624283 ] [ 2.05175 1.547661 1.964386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.934362e-11 2.840867e-10 1.110891e-10 ] [ 7.634727e-11 2.370483e-10 2.358735e-10 ] [ 2.954483e-10 5.132865e-11 5.514058e-11 ] [ 1.977096e-10 2.170821e-10 9.67804e-12 ] [ 2.774594e-10 2.595093e-10 2.624283e-10 ] [ 2.05175e-10 1.547661e-10 1.964386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -42.8826923 29.2718176 -71.2464374 ] [ -23.1175926 -2.6487039 78.1751372 ] [ 10.2594166 -18.7119852 -10.4676734 ] [ 0.7848785 9.9862845 -18.1999512 ] [ 57.7450109 57.5191849 45.8685458 ] [ -2.7890211 -75.4165979 -24.129621 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.870564704002019e-08 4.689862180704196e-08 -1.141493763175708e-07 ] [ -3.703846639289908e-08 -4.243691464001781e-09 1.252503771496724e-07 ] [ 1.643739741956743e-08 -2.997990521619561e-08 -1.677106159565005e-08 ] [ 1.257513982868573e-09 1.599979155455742e-08 -2.915953631234091e-08 ] [ 9.251770643182117e-08 9.215589329425238e-08 7.348951171085404e-08 ] [ -4.468504401337899e-09 -1.208307099756544e-07 -3.865991463496472e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 45.526569 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.294160447703805e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.455543 3.4467577 0.5147195 ] [ 0.682486 2.7515999 2.7001128 ] [ 3.49135 1.0550684 0.1687159 ] [ 1.1839152 1.3651695 -0.1539483 ] [ 2.9251829 2.620468 3.3912461 ] [ 2.0763549 0.799148 2.0856352 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.55543e-11 3.4467577e-10 5.147195e-11 ] [ 6.82486e-11 2.7515999e-10 2.7001128e-10 ] [ 3.49135e-10 1.0550684e-10 1.687159e-11 ] [ 1.1839152e-10 1.3651695e-10 -1.539483e-11 ] [ 2.9251829e-10 2.620468e-10 3.3912461e-10 ] [ 2.0763549e-10 7.99148e-11 2.0856352e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.86e-05 4.15e-05 4.11e-05 ] [ -2e-05 3.81e-05 -1.87e-05 ] [ 6.59e-05 -2.02e-05 -2.71e-05 ] [ 1.47e-05 -2.62e-05 -5e-07 ] [ -5.6e-06 -3.23e-05 -2.83e-05 ] [ -6.4e-06 -9e-07 3.35e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.786578377088e-14 6.64903297632e-14 6.584945911488e-14 ] [ -3.2043532416e-14 6.104292925248e-14 -2.996070280896e-14 ] [ 1.0558343931072e-13 -3.236396774016e-14 -4.341898642368e-14 ] [ 2.355199632576e-14 -4.197702746496e-14 -8.010883104e-16 ] [ -8.972189076479999e-15 -5.175030485184e-14 -4.534159836864e-14 ] [ -1.025393037312e-14 -1.44195895872e-15 5.36729167968e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.269205 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.766831651080246e-18 } }