{ "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" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6910482 5.3064026 -10.4029503 ] [ -2.6401427 -5.1616667 10.0435854 ] [ 7.4486394 0.3837499 0.3815278 ] [ 1.8046848 -0.6939217 -5.7491477 ] [ -1.9221332 0.165436 5.7269848 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.515887753085922e-09 8.501794186272335e-09 -1.666736375800435e-08 ] [ -4.229974909515789e-09 -8.269901711101886e-09 1.609159771688821e-08 ] [ 1.193403590344974e-08 6.148351180143379e-10 6.112749213452582e-10 ] [ 2.891423794473124e-09 -1.111785124405791e-09 -9.211150034466092e-09 ] [ -3.079596875103491e-09 2.650576914386688e-10 9.175641154236964e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0693959 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.453077407575938e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6226878 1.0136754 0.5526171 ] [ 1.3233818 -0.1820645 2.3494326 ] [ 3.0263337 0.9548648 3.3275227 ] [ 1.8925874 2.8896117 0.4202143 ] [ 3.3781186 2.8532679 2.1352039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.226878e-11 1.0136754e-10 5.526171e-11 ] [ 1.3233818e-10 -1.820645e-11 2.3494326e-10 ] [ 3.0263337e-10 9.548648e-11 3.3275227e-10 ] [ 1.8925874e-10 2.8896117e-10 4.202143e-11 ] [ 3.3781186e-10 2.8532679e-10 2.1352039e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2e-06 1.2e-06 1.8e-06 ] [ 4.1e-06 4.9e-06 -1e-07 ] [ -3.5e-06 -5.3e-06 2.2e-06 ] [ 9e-07 -0.0 2.9e-06 ] [ -4.7e-06 -8e-07 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.126965186560001e-15 1.92261194496e-15 2.88391791744e-15 ] [ 6.568924145279999e-15 7.850665441919999e-15 -1.6021766208e-16 ] [ -5.6076181728e-15 -8.491536090240001e-15 3.52478856576e-15 ] [ 1.44195895872e-15 0.0 4.646312200320001e-15 ] [ -7.53023011776e-15 -1.28174129664e-15 -1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.066442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.41391011310392e-18 } }