{ "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" [ [ 0.421878 2.270641 0.131256 ] [ 0.1151872 2.83342 1.501847 ] [ 1.874433 0.2983712 0.2433776 ] [ 2.499725 0.6406393 2.506935 ] [ 1.789352 2.803582 2.39627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.21878e-11 2.270641e-10 1.31256e-11 ] [ 1.151872e-11 2.83342e-10 1.501847e-10 ] [ 1.874433e-10 2.983712e-11 2.433776e-11 ] [ 2.499725e-10 6.406393e-11 2.506935e-10 ] [ 1.789352e-10 2.803582e-10 2.39627e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.062193 -17.2186459 -46.7538115 ] [ -21.5904726 17.2771591 31.6898742 ] [ 0.7126157 -3.2426969 -2.1340956 ] [ 1.2286819 -1.4983015 0.3912223 ] [ 16.586982 4.6824852 16.8068106 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.906174032977414e-09 -2.758731190281377e-08 -7.490786371859019e-08 ] [ -3.459175043174299e-08 2.768106038386197e-08 5.07727755593331e-08 ] [ 1.141736214155027e-09 -5.195373161520635e-09 -3.419198076872149e-09 ] [ 1.968565414580123e-09 -2.400543634209571e-09 6.268072225956038e-10 ] [ 2.657527477003043e-08 7.502168314682013e-09 2.692747901353362e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.3767159 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.021662513246363e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2093667 1.8395282 -0.2931728 ] [ 0.1376223 3.3620876 1.4981364 ] [ 1.8436774 0.2198865 0.1945902 ] [ 2.7820734 0.7415159 2.2873009 ] [ 1.7278354 2.6836353 3.0928309 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.093667e-11 1.8395282e-10 -2.931728e-11 ] [ 1.376223e-11 3.3620876e-10 1.4981364e-10 ] [ 1.8436774e-10 2.198865e-11 1.945902e-11 ] [ 2.7820734e-10 7.415159e-11 2.2873009e-10 ] [ 1.7278354e-10 2.683635300000001e-10 3.0928309e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.22e-05 -5.5e-06 -1.7e-06 ] [ 1.11e-05 1.52e-05 -5e-06 ] [ 2.2e-06 -1.21e-05 -9.4e-06 ] [ 1.18e-05 6.6e-06 -1.5e-06 ] [ -1.29e-05 -4.2e-06 1.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.954655477376e-14 -8.8119714144e-15 -2.72370025536e-15 ] [ 1.778416049088e-14 2.435308463616e-14 -8.010883104e-15 ] [ 3.52478856576e-15 -1.938633711168e-14 -1.506046023552e-14 ] [ 1.890568412544e-14 1.057436569728e-14 -2.4032649312e-15 ] [ -2.066807840832e-14 -6.72914180736e-15 2.819830852608e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.83321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735671579021677e-18 } }