{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.33088 0 0 ] "si-unit" "m" "si-value" [ 5.33088e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0480326 5.46857 0 ] "si-unit" "m" "si-value" [ 4.80326e-12 5.46857e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109209 0.182969 5.33745 ] "si-unit" "m" "si-value" [ -1.09209e-11 1.82969e-11 5.33745e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0970486 -0.0788825 -0.10937 ] [ 1.39157 1.38931 1.26283 ] [ -0.0444574 2.82173 2.6602 ] [ 1.24826 4.17435 3.90061 ] [ 2.67605 0.0682538 2.80056 ] [ 3.9766 1.50429 4.31462 ] [ 2.81042 2.80539 0.0255717 ] [ 4.1826 4.03217 1.44291 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.70486e-12 -7.88825e-12 -1.0937e-11 ] [ 1.39157e-10 1.38931e-10 1.26283e-10 ] [ -4.44574e-12 2.82173e-10 2.6602e-10 ] [ 1.24826e-10 4.17435e-10 3.90061e-10 ] [ 2.67605e-10 6.825380000000001e-12 2.80056e-10 ] [ 3.9766e-10 1.50429e-10 4.31462e-10 ] [ 2.81042e-10 2.80539e-10 2.55717e-12 ] [ 4.1826e-10 4.03217e-10 1.44291e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.6896003 -3.5391306 4.5144045 ] [ -0.8534592 -0.2142905 0.7569441 ] [ 3.2955613 -5.2510095 2.9647134 ] [ 0.6869767 1.0213082 1.6495972 ] [ 0.7718826 0.3835838 -1.2193808 ] [ -3.0285734 3.0090387 -6.6980446 ] [ -1.6955327 -0.1510891 1.1161968 ] [ -4.8664554 4.741589 -3.0844307 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.11574465745939e-09 -5.6703123519944e-09 7.232873406324453e-09 ] [ -1.367392388312333e-09 -3.43331231988177e-10 1.212758150264159e-09 ] [ 5.280071310774664e-09 -8.413044725812022e-09 4.749994535986695e-09 ] [ 1.100658016842428e-09 1.636316134152599e-09 2.642946089351825e-09 ] [ 1.236692265911168e-09 6.145690015409291e-10 -1.953663425708227e-09 ] [ -4.852309535833935e-09 4.821011495941735e-09 -1.073145055160987e-08 ] [ -2.716542874122932e-09 -2.420714256720894e-10 1.788344431905571e-09 ] [ -7.796921132283124e-09 7.596863103831426e-09 -4.941802796732263e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.066765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.4580974878969e-18 } }