{ "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" [ [ 0.2157699 -0.3780041 0.0938927 ] [ -0.753175 0.4339391 -0.4352845 ] [ 1.5231801 0.2395079 1.9038321 ] [ -0.3159386 0.5986966 -1.6001257 ] [ 0.2977532 -3.3518525 0.136435 ] [ 0.2442968 0.6417569 0.1197633 ] [ -0.3466752 -0.0603986 -0.4751026 ] [ -0.8652113 1.8763545 0.2565898 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.457014921005166e-10 -6.056293365761993e-10 1.504326900431718e-10 ] [ -1.20671938631295e-09 6.952470865989893e-10 -6.97402655042373e-10 ] [ 2.440403565593783e-09 3.837339610384086e-10 3.050275305679151e-09 ] [ -5.061894426986724e-10 9.592177033752443e-10 -2.563684008002893e-09 ] [ 4.770532197387288e-10 -5.370259756114485e-09 2.1859296905979e-10 ] [ 3.914066247209712e-10 1.028207909888274e-09 1.918819608707322e-10 ] [ -5.554349050272767e-10 -9.676922564631239e-11 -7.611982844726483e-10 ] [ -1.386221328332764e-09 3.006251337000753e-09 4.111021820827331e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.36587 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.826454718908157e-18 } }