{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9893296 -7.5091596 -4.2214362 ] [ -0.6360256 1.8875558 2.2927617 ] [ 1.407249 2.9891195 -2.6767374 ] [ -0.6698397 1.6633109 2.9230427 ] [ 1.8404724 -1.1460903 4.3928076 ] [ -0.1805768 2.5161957 -2.4206373 ] [ 0.2280503 -0.4009321 -0.2898012 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.187257376185416e-09 -1.203099995297588e-08 -6.763486385838794e-09 ] [ -1.019025346550292e-09 3.02419777321544e-09 3.673409192805663e-09 ] [ 2.254661447444179e-09 4.789097379677385e-09 -4.288606082300977e-09 ] [ -1.073201507023686e-09 2.664917837101806e-09 4.683230675540108e-09 ] [ 2.948761850507666e-09 -1.836239083985658e-09 7.038053636392559e-09 ] [ -2.893159272188775e-10 4.03138992389749e-09 -3.878288489496436e-09 ] [ 3.653768590264263e-10 -6.423640371482477e-10 -4.643127073197849e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.586944 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.138174374971884e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6873916 1.822505 1.6577074 ] [ 2.3033187 2.4269642 3.9434754 ] [ 2.6409111 4.1028766 0.981127 ] [ 2.0279265 4.7316845 3.1680925 ] [ 4.67205 2.3542643 3.025512 ] [ 4.9386352 3.8158419 1.1887519 ] [ 3.9387198 4.1306764 4.5100349 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6873916e-10 1.822505e-10 1.6577074e-10 ] [ 2.3033187e-10 2.4269642e-10 3.9434754e-10 ] [ 2.6409111e-10 4.1028766e-10 9.81127e-11 ] [ 2.0279265e-10 4.731684500000001e-10 3.1680925e-10 ] [ 4.672049999999999e-10 2.3542643e-10 3.025512e-10 ] [ 4.938635200000001e-10 3.8158419e-10 1.1887519e-10 ] [ 3.9387198e-10 4.1306764e-10 4.5100349e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.32e-05 -3.78e-05 2.41e-05 ] [ -1.32e-05 3.65e-05 1.43e-05 ] [ 2.46e-05 2.62e-05 -2.07e-05 ] [ -8e-06 2e-06 2.33e-05 ] [ 2.2e-06 -5.2e-06 6e-07 ] [ -8e-06 1.61e-05 -4.06e-05 ] [ -2.07e-05 -3.77e-05 -9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.717049760256e-14 -6.056227626623999e-14 3.861245656128e-14 ] [ -2.114873139456e-14 5.84794466592e-14 2.291112567744e-14 ] [ 3.941354487168e-14 4.197702746496e-14 -3.316505605055999e-14 ] [ -1.28174129664e-14 3.2043532416e-15 3.733071526464e-14 ] [ 3.52478856576e-15 -8.33131842816e-15 9.6130597248e-16 ] [ -1.28174129664e-14 2.579504359488e-14 -6.504837080448e-14 ] [ -3.316505605055999e-14 -6.040205860416e-14 -1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.997822 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.52443961169199e-18 } }