{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1409694 -0.3277366 0.0620186 ] [ -0.5193315 0.262476 -0.2940793 ] [ 1.2482556 0.3761305 1.5780698 ] [ -0.2218059 0.5233726 -1.5819279 ] [ 0.2207436 -2.9166238 0.1150947 ] [ 0.208965 0.4282135 0.0470215 ] [ -0.2685164 -0.006204 -0.3630691 ] [ -0.8092798 1.6603718 0.4368717 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.258578787889996e-10 -5.250919226266044e-10 9.93647517933924e-11 ] [ -8.320607946001708e-10 4.205329141857839e-10 -4.711669830030761e-10 ] [ 1.99992595557965e-09 6.026274984347369e-10 2.528346560381053e-09 ] [ -3.553722302633406e-10 8.385353505958283e-10 -2.534527918052688e-09 ] [ 3.536702380250424e-10 -4.672946502528289e-09 1.844020390372398e-10 ] [ 3.3479884032381e-10 6.86073664063359e-10 7.533674859563099e-11 ] [ -4.302107019257976e-10 -9.939903837335998e-12 -5.817008285474094e-10 ] [ -1.296609185928193e-09 2.660208901712521e-09 6.999456297958577e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.146755292303475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.631131009024447e-18 } }