{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2391942999999994 5.289467699999999 -2.6783177999999994 ] [ 1.6786689999999995 -2.4018483999999996 -2.1241655999999995 ] [ -2.3905910999999995 4.729577899999999 0.34433889999999995 ] [ 0.11890569999999998 -2.5707732999999995 0.7840123999999998 ] [ -1.0907961999999998 0.5947836999999999 -0.6281104999999999 ] [ 2.4640074999999997 -2.8438717999999996 0.8795031999999998 ] [ -4.988704499999999 -0.14928939999999996 -2.2490179999999995 ] [ 1.9693152999999997 -2.6480463999999997 5.671757399999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.587584786445985e-09 8.47466155523772e-09 -4.291138197586284e-09 ] [ 2.689524248020145e-09 -3.848185384890285e-09 -3.403288491066589e-09 ] [ -3.830149201868357e-09 7.577619200062786e-09 5.516917397572624e-10 ] [ 1.905079341894137e-10 -4.118832912571071e-09 1.256126348046261e-09 ] [ -1.74764818409599e-09 9.529485464240656e-10 -1.006343966670057e-09 ] [ 3.947775242500754e-09 -4.556384948051521e-09 1.409119476568228e-09 ] [ -7.992785783830651e-09 -2.391879883838795e-10 -3.603324089045411e-09 ] [ 3.155190958638699e-09 -4.242638067827817e-09 9.087157179996588e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.404577 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.672438600605382e-18 } }