{ "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" [ [ 0.7859888 0.7922848 0.3283142 ] [ 1.326446 2.971813 1.139898 ] [ 0.4302915 2.603801 2.617302 ] [ 2.920361 1.53739 0.8701039 ] [ 1.870212 1.959004 2.746341 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.859888e-11 7.922848000000001e-11 3.283142e-11 ] [ 1.326446e-10 2.971813e-10 1.139898e-10 ] [ 4.302915e-11 2.603801e-10 2.617302e-10 ] [ 2.920361000000001e-10 1.53739e-10 8.701039000000001e-11 ] [ 1.870212e-10 1.959004e-10 2.746341e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1100577 -3.6177019 -6.4880047 ] [ 4.1612862 13.7374129 -27.8437635 ] [ -50.5765354 14.5510482 16.1730768 ] [ 4.9779998 -3.3652991 -3.126459 ] [ 43.547307 -21.3054601 21.2851504 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.380685143331781e-09 -5.796197452957404e-09 -1.039492953162218e-08 ] [ 6.66711551702665e-09 2.200976195999018e-08 -4.461062728232206e-08 ] [ -8.103254324655383e-08 2.331334942624776e-08 2.591212574884749e-08 ] [ 7.975634963616673e-09 -5.39180358444123e-09 -5.009139556959006e-09 ] [ 6.977047774902464e-08 -3.41351103488393e-08 3.410257062205575e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.338698 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.553537191582531e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8638659 0.9114399 -0.2441458 ] [ 1.1865876 2.9582967 0.9381319 ] [ 0.0245923 2.6553572 2.9995711 ] [ 2.8956387 1.1158266 0.9741584 ] [ 2.3626148 2.2233724 3.0342435 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.638659e-11 9.114399e-11 -2.441458e-11 ] [ 1.1865876e-10 2.9582967e-10 9.381319e-11 ] [ 2.45923e-12 2.6553572e-10 2.9995711e-10 ] [ 2.8956387e-10 1.1158266e-10 9.741584e-11 ] [ 2.3626148e-10 2.2233724e-10 3.0342435e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.01e-05 1.73e-05 1.6e-06 ] [ -2.34e-05 -2.4e-06 -4e-05 ] [ 4.29e-05 -9.7e-06 8.5e-06 ] [ -9.7e-06 -1.5e-06 1.83e-05 ] [ -1.99e-05 -3.7e-06 1.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.61819840034e-14 2.77176557682e-14 2.5634826144e-15 ] [ -3.749093323559999e-14 -3.845223921599999e-15 -6.408706535999999e-14 ] [ 6.873337759859999e-14 -1.55411133498e-14 1.3618501389e-14 ] [ -1.55411133498e-14 -2.403264951e-15 2.93198324022e-14 ] [ -3.18833150166e-14 -5.9280535458e-15 1.82648136276e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.407227 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.148074582613392e-18 } }