{ "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" [ [ -0.2548963 0.0843809 0.5742646 ] [ -1.6004326 1.3700331 -1.8458323 ] [ 2.7862367 -0.4844939 3.6364036 ] [ -0.144509 0.3617979 -3.03953 ] [ 0.2827054 -6.4380484 -0.0760807 ] [ 1.5350239 1.8323056 1.2683313 ] [ -0.7034057 -0.9941987 -0.7939763 ] [ -1.9007223 4.2682235 0.2764199 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.083888925884231e-10 1.351931052220627e-10 9.200733162730637e-10 ] [ -2.564175694886158e-09 2.195035002542148e-09 -2.957349356977492e-09 ] [ 4.464043300754943e-09 -7.762447995002131e-10 5.826160831712955e-09 ] [ -2.315289412951872e-10 5.796641368345363e-10 -4.869863904220224e-09 ] [ 4.529439824539123e-10 -1.031489063005885e-08 -1.218947188340986e-10 ] [ 2.459379404949238e-09 2.935677194480916e-09 2.032090756288871e-09 ] [ -1.126980167477459e-09 -1.592881913569753e-09 -1.272090265329287e-09 ] [ -3.045292831693204e-09 6.838447904049149e-09 4.42873501303874e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.932742 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.757059915363823e-18 } }