{ "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" [ [ 2.03068 2.305251 2.057253 ] [ 2.579116 2.417689 4.578894 ] [ 0.1076423 2.252956 3.524492 ] [ 1.371288 4.166573 3.55215 ] [ 3.675708 3.460848 3.322007 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.03068e-10 2.305251e-10 2.057253e-10 ] [ 2.579116e-10 2.417689e-10 4.578894e-10 ] [ 1.076423e-11 2.252956e-10 3.524492e-10 ] [ 1.371288e-10 4.166573e-10 3.55215e-10 ] [ 3.675708000000001e-10 3.460848e-10 3.322007e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0068253 -7.746371 -13.870717 ] [ -3.3798133 -8.3367996 9.3578921 ] [ -1.3048407 -3.3595308 4.2200338 ] [ -12.4115386 15.7809562 1.5595538 ] [ 18.1030179 3.6617452 -1.2667627 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.613111956889946e-09 -1.241105451224312e-08 -2.222333849113312e-08 ] [ -5.415057851928897e-09 -1.335702541141479e-08 1.499299594258902e-08 ] [ -2.090585263408307e-09 -5.382561704617521e-09 6.761239493345784e-09 ] [ -1.988547697307677e-08 2.528387907750881e-08 2.498680637239799e-09 ] [ 2.900423204530392e-08 5.86676255076662e-09 -2.029577582041484e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.046241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.930020569872241e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0654549 2.2728391 2.0904601 ] [ 2.3672119 2.198391 4.6202883 ] [ 0.0269611 2.1643764 3.6144349 ] [ 1.4259812 4.2907939 3.5101168 ] [ 3.8788251 3.6769167 3.1994959 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0654549e-10 2.2728391e-10 2.0904601e-10 ] [ 2.3672119e-10 2.198391e-10 4.620288300000001e-10 ] [ 2.69611e-12 2.1643764e-10 3.6144349e-10 ] [ 1.4259812e-10 4.2907939e-10 3.5101168e-10 ] [ 3.8788251e-10 3.6769167e-10 3.1994959e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-05 -0.000105 0.0001636 ] [ -6.64e-05 -5.54e-05 -0.0001131 ] [ 0.000212 0.0002125 -7.31e-05 ] [ -3.97e-05 -0.0001414 5.54e-05 ] [ -7.09e-05 8.93e-05 -3.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6076181728e-14 -1.68228545184e-13 2.6211609516288e-13 ] [ -1.0638452762112e-13 -8.876058479231999e-14 -1.8120617581248e-13 ] [ 3.396614436096e-13 3.4046253192e-13 -1.1711911098048e-13 ] [ -6.360641184576e-14 -2.2654777418112e-13 8.876058479231999e-14 ] [ -1.1359432241472e-13 1.4307437223744e-13 -5.255139316223999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.756113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.844842912488295e-18 } }