{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.889016 4.339495 1.275975 ] [ 2.554838 3.101562 2.999193 ] [ 4.055705 3.657127 1.332404 ] [ 4.476672 4.505138 3.486766 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.889016e-10 4.339495e-10 1.275975e-10 ] [ 2.554838e-10 3.101562e-10 2.999193e-10 ] [ 4.055705e-10 3.657127e-10 1.332404e-10 ] [ 4.476672e-10 4.505138e-10 3.486766e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6985611 1.0974557 -1.4622055 ] [ -1.0815136 -1.2543143 3.3808988 ] [ 2.8769321 0.5014044 -1.8965111 ] [ -0.0968574 -0.3445458 -0.0221821 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.721394883420331e-09 1.758317864903699e-09 -2.342711466905174e-09 ] [ -1.732775804997243e-09 -2.009633046595118e-09 5.416797014650775e-09 ] [ 4.609353350249048e-09 8.033384072462515e-10 -3.038545745507691e-09 ] [ -1.551826618314739e-10 -5.520232255548328e-10 -3.553964202024768e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -9.2406184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.48051027622143e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0225502 3.8502992 1.2093894 ] [ 2.2187963 3.5163629 3.4686572 ] [ 4.2693199 4.285295 1.0785114 ] [ 4.4655645 3.9513649 3.33778 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0225502e-10 3.8502992e-10 1.2093894e-10 ] [ 2.2187963e-10 3.5163629e-10 3.4686572e-10 ] [ 4.2693199e-10 4.285295e-10 1.0785114e-10 ] [ 4.4655645e-10 3.9513649e-10 3.33778e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.91e-05 -0.0 -3.64e-05 ] [ 2.45e-05 8.6e-06 -1e-05 ] [ -2.94e-05 -4.1e-06 7.2e-06 ] [ 2.39e-05 -4.5e-06 3.92e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.060157345728e-14 0.0 -5.831922899712e-14 ] [ 3.92533272096e-14 1.377871893888e-14 -1.6021766208e-14 ] [ -4.710399265152e-14 -6.568924145279999e-15 1.153567166976e-14 ] [ 3.829202123712e-14 -7.2097947936e-15 6.280532353535999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.238204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.800558770858104e-18 } }