{ "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" [ [ 2.164327 2.183765 1.328393 ] [ 2.70587 2.068279 5.162644 ] [ 0.8559813 1.907046 3.441903 ] [ 2.386273 0.2061938 3.516969 ] [ 3.489815 3.035472 2.979319 ] [ 4.556806 1.225964 3.894732 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.164327e-10 2.183765e-10 1.328393e-10 ] [ 2.70587e-10 2.068279e-10 5.162644000000001e-10 ] [ 8.559813e-11 1.907046e-10 3.441903e-10 ] [ 2.386273e-10 2.061938e-11 3.516969e-10 ] [ 3.489815e-10 3.035472e-10 2.979319e-10 ] [ 4.556806e-10 1.225964e-10 3.894732e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6692085 -1.7237263 2.2398254 ] [ -0.4547863 -0.3147327 -1.5971342 ] [ 1.9986084 1.0873827 -0.516397 ] [ 0.6244235 1.069516 -0.9918223 ] [ -0.9620574 0.3761432 0.7317599 ] [ -0.5369797 -0.4945828 0.1337683 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.072190213140637e-09 -2.761713978518087e-09 3.588595890554008e-09 ] [ -7.286479773201351e-10 -5.042573737412601e-10 -2.558891075520111e-09 ] [ 3.202123652614495e-09 1.74217913980238e-09 -8.273592004512576e-10 ] [ 1.000436733178109e-09 1.713553530771533e-09 -1.589074501048084e-09 ] [ -1.541385874147634e-09 6.026478411128986e-10 1.172408603818946e-09 ] [ -8.603363211841978e-10 -7.924089992098023e-10 2.143204428641607e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -24.992048 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.00416750115114e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1086539 1.7998196 1.4459859 ] [ 2.6658178 1.9110839 5.1261872 ] [ 1.0255115 2.2783377 3.4621203 ] [ 2.4681262 0.2789995 3.2798792 ] [ 3.3195431 3.1100173 3.0653749 ] [ 4.5714198 1.2484619 3.9444125 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1086539e-10 1.7998196e-10 1.4459859e-10 ] [ 2.6658178e-10 1.9110839e-10 5.1261872e-10 ] [ 1.0255115e-10 2.2783377e-10 3.4621203e-10 ] [ 2.4681262e-10 2.789995e-11 3.2798792e-10 ] [ 3.3195431e-10 3.1100173e-10 3.0653749e-10 ] [ 4.5714198e-10 1.2484619e-10 3.9444125e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.6e-06 1.4e-05 1.18e-05 ] [ 2.24e-05 5.2e-05 -3.24e-05 ] [ 2.38e-05 -1.21e-05 -1.4e-06 ] [ 1.6e-05 2e-07 -1.57e-05 ] [ -2.2e-05 -6.11e-05 4.68e-05 ] [ -4.48e-05 7e-06 -9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.370012455680001e-15 2.24304726912e-14 1.890568412544e-14 ] [ 3.588875630592e-14 8.33131842816e-14 -5.191052251392001e-14 ] [ 3.813180357504e-14 -1.938633711168e-14 -2.24304726912e-15 ] [ 2.56348259328e-14 3.2043532416e-16 -2.515417294656e-14 ] [ -3.52478856576e-14 -9.789299153088e-14 7.498186585344001e-14 ] [ -7.177751261183999e-14 1.12152363456e-14 -1.44195895872e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.320379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.216989588439529e-18 } }