{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -29.0159337 -9.8296654 -11.0447254 ] [ 0.4754051 0.1978091 -2.1963968 ] [ 45.1475708 -92.6310726 47.9976492 ] [ 32.9044887 56.4590575 -116.2098886 ] [ -49.5115308 45.8038715 81.4533617 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.648865060482284e-08 -1.574886009416668e-08 -1.769560081903593e-08 ] [ 7.616829366290861e-10 3.169251154014893e-10 -3.519015602959933e-09 ] [ 7.233438242167276e-08 -1.484113388793475e-07 7.690071140159982e-08 ] [ 5.271880251451778e-08 9.045738195890291e-08 -1.861887666206924e-07 ] [ -7.932621710777913e-08 7.338589205942743e-08 1.305026718013061e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 40.753266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.529393000644354e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0690017 0.0573324 0.5152812 ] [ -0.1247099 0.8280941 2.5824091 ] [ 3.614641 0.0282263 1.0584152 ] [ 2.4537412 2.305107 0.5641097 ] [ 1.188292 2.9596521 2.6286369 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0690017e-10 5.73324e-12 5.152812e-11 ] [ -1.247099e-11 8.280941e-11 2.5824091e-10 ] [ 3.614641e-10 2.82263e-12 1.0584152e-10 ] [ 2.4537412e-10 2.305107e-10 5.641097000000001e-11 ] [ 1.188292e-10 2.9596521e-10 2.6286369e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.86e-05 2.8e-05 1.03e-05 ] [ -1.45e-05 1.51e-05 3.9e-06 ] [ 4e-06 5.31e-05 1.89e-05 ] [ -1.4e-06 -2.47e-05 -2.1e-06 ] [ 3.06e-05 -7.15e-05 -3.1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.980048514688e-14 4.48609453824e-14 1.650241919424e-14 ] [ -2.32315610016e-14 2.419286697408e-14 6.24848882112e-15 ] [ 6.4087064832e-15 8.507557856448001e-14 3.028113813312e-14 ] [ -2.24304726912e-15 -3.957376253376001e-14 -3.36457090368e-15 ] [ 4.902660459647999e-14 -1.145556283872e-13 -4.96674752448e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.615343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.501853748037294e-18 } }