{ "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" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2797533 -21.4661482 6.3297324 ] [ -13.0742016 20.8801274 -3.7629188 ] [ 1.0933978 0.1411542 0.4450686 ] [ 0.0441788 0.6570978 -0.9676714 ] [ 12.016684 -0.5520111 -2.5736708 ] [ -1.3598123 0.3397799 0.52946 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.050390834544392e-09 -3.439256106802115e-08 1.014134935075274e-08 ] [ -2.094718031172541e-08 3.345365223522317e-08 -6.028860576999318e-09 ] [ 1.751816406827005e-09 2.261539610309628e-10 7.130785114470924e-10 ] [ 7.078224107815918e-11 1.052786741412805e-09 -1.550380506470067e-09 ] [ 1.925285032296165e-08 -8.844192861286372e-10 -4.123475219368087e-09 ] [ -2.178659493685798e-09 5.443874164828565e-10 8.4828844063764e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.322661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.493654962090307e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5107708 1.0150735 1.1179856 ] [ 0.8586434 3.5953172 0.7013809 ] [ 0.0813083 2.7292613 2.7806592 ] [ 2.326915 0.3665929 2.4279659 ] [ 1.5197221 1.919215 -0.826297 ] [ 1.9578897 2.0372574 3.9347438 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.107708e-11 1.0150735e-10 1.1179856e-10 ] [ 8.586434e-11 3.5953172e-10 7.013809e-11 ] [ 8.13083e-12 2.7292613e-10 2.7806592e-10 ] [ 2.326915e-10 3.665929e-11 2.4279659e-10 ] [ 1.5197221e-10 1.919215e-10 -8.26297e-11 ] [ 1.9578897e-10 2.0372574e-10 3.9347438e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.01e-05 -8.1e-06 -2.02e-05 ] [ 3.5e-06 1.1e-06 -1.6e-06 ] [ -7.9e-06 -2.1e-06 1.68e-05 ] [ -5.9e-06 1.1e-05 8.6e-06 ] [ 4.2e-06 -2.9e-06 -2.79e-05 ] [ 1.61e-05 9e-07 2.43e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.61819840034e-14 -1.29776307354e-14 -3.236396800679999e-14 ] [ 5.607618218999999e-15 1.7623942974e-15 -2.5634826144e-15 ] [ -1.26571954086e-14 -3.364570931399999e-15 2.691656745119999e-14 ] [ -9.452842140600001e-15 1.7623942974e-14 1.37787190524e-14 ] [ 6.729141862799999e-15 -4.6463122386e-15 -4.470072808859999e-14 ] [ 2.579504380739999e-14 1.4419589706e-15 3.893289220619999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.268376 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.766698853432638e-18 } }