{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7475065 -0.7191913 1.9925261 ] [ -1.3333939 -2.2942023 2.984674 ] [ -1.584912 -1.1731211 -4.3867015 ] [ 0.373483 1.5278597 1.0013735 ] [ 0.5085175 -0.6750903 -0.4973322 ] [ 4.977548 0.1248948 0.5403313 ] [ 0.8062639 3.2088505 -1.6348711 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.004167300596035e-09 -1.152271486742759e-09 3.192378733753803e-09 ] [ -2.136332532897333e-09 -3.675717288445588e-09 4.781974903509619e-09 ] [ -2.53930895242537e-09 -1.879547199787179e-09 -7.028270585728291e-09 ] [ 5.983857308662464e-10 2.447901091202502e-09 1.604377210388669e-09 ] [ 8.147348497676639e-10 -1.081613895588858e-09 -7.968140236110299e-10 ] [ 7.974911034509798e-09 2.001035286194919e-10 8.65706176346471e-10 ] [ 1.291777170775029e-09 5.141145250742391e-09 -2.619352254441579e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.376395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.905529016838601e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4388807 2.9519295 0.0533311 ] [ 1.770163 4.9557085 1.2699446 ] [ 2.5937433 3.0098895 2.4851987 ] [ 4.3857961 2.0049771 1.1737271 ] [ 4.9203629 3.4235277 3.0827708 ] [ 4.1338599 4.4234275 1.0036139 ] [ 3.3037892 5.2471642 3.1422526 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4388807e-10 2.9519295e-10 5.33311e-12 ] [ 1.770163e-10 4.9557085e-10 1.2699446e-10 ] [ 2.5937433e-10 3.0098895e-10 2.4851987e-10 ] [ 4.385796100000001e-10 2.0049771e-10 1.1737271e-10 ] [ 4.9203629e-10 3.4235277e-10 3.0827708e-10 ] [ 4.1338599e-10 4.4234275e-10 1.0036139e-10 ] [ 3.3037892e-10 5.2471642e-10 3.1422526e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.25e-05 -6.61e-05 -4.17e-05 ] [ -1e-07 1.36e-05 5.18e-05 ] [ -8.99e-05 8e-07 5.63e-05 ] [ 0.0001016 -5.89e-05 -5.16e-05 ] [ -4.96e-05 -3.51e-05 4.32e-05 ] [ 1.84e-05 0.0001007 -4.59e-05 ] [ 4.22e-05 4.5e-05 -1.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.604897396800001e-14 -1.0590387463488e-13 -6.681076508736e-14 ] [ -1.6021766208e-16 2.178960204288e-14 8.299274895744e-14 ] [ -1.4403567820992e-13 1.28174129664e-15 9.020254375104e-14 ] [ 1.6278114467328e-13 -9.436820296512001e-14 -8.267231363328e-14 ] [ -7.946796039168e-14 -5.623639939008e-14 6.921403001856e-14 ] [ 2.948004982272e-14 1.6133918571456e-13 -7.353990689472e-14 ] [ 6.761185339776e-14 7.209794793600001e-14 -1.938633711168e-14 ] ] } "relaxed-potential-energy" { "source-value" -31.275942 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.010958306589679e-18 } }