{ "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" [ 5.4207 0 0 ] "si-unit" "m" "si-value" [ 5.420700000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.121917 5.37017 0 ] "si-unit" "m" "si-value" [ -1.21917e-11 5.37017e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0328689 -0.300504 5.4102 ] "si-unit" "m" "si-value" [ -3.28689e-12 -3.00504e-11 5.4102e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0512752 -0.33658 -0.135216 ] [ 1.26577 1.35967 1.6251 ] [ 0.0338464 2.52642 2.69707 ] [ 1.45988 3.83229 4.06608 ] [ 2.77794 -0.093605 2.9072 ] [ 4.03914 1.38604 3.72159 ] [ 2.13334 2.58123 0.377362 ] [ 4.24352 4.40881 1.44889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.12752e-12 -3.3658e-11 -1.35216e-11 ] [ 1.26577e-10 1.35967e-10 1.6251e-10 ] [ 3.38464e-12 2.52642e-10 2.69707e-10 ] [ 1.45988e-10 3.83229e-10 4.06608e-10 ] [ 2.77794e-10 -9.3605e-12 2.9072e-10 ] [ 4.03914e-10 1.38604e-10 3.72159e-10 ] [ 2.13334e-10 2.58123e-10 3.77362e-11 ] [ 4.243520000000001e-10 4.40881e-10 1.44889e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 14.212849799999999 40.58058609999999 -28.646795999999995 ] [ -26.262671699999995 -63.57974579999999 29.782121499999995 ] [ -0.9252310999999999 27.588950199999996 -3.8936797999999997 ] [ -3.2083419999999996 -17.849787699999997 4.080016199999999 ] [ -9.800041199999999 -0.30534669999999997 -18.069202299999997 ] [ -6.540816499999999 -3.2560608999999996 37.38876869999999 ] [ 59.41526569999999 55.10536239999999 -54.90356779999999 ] [ -26.891012899999996 -38.283957699999995 34.262339499999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.277149585211157e-08 6.501726684344517e-08 -4.589722719016465e-08 ] [ -4.207743894415304e-08 -1.018659831164196e-07 4.771621917824902e-08 ] [ -1.482383649470117e-09 4.420237136702961e-08 -6.238362795837793e-09 ] [ -5.140330586280826e-09 -2.859851277480059e-08 6.536906621981469e-09 ] [ -1.570139702287732e-08 -4.892193480090077e-10 -2.895005372007905e-08 ] [ -1.047954336358166e-08 -5.216784692861009e-09 5.990341158517054e-08 ] [ 9.519375040744163e-08 8.828852404538213e-08 -8.796521345239476e-08 ] [ -4.308415253297257e-08 -6.133766248398436e-08 5.489431977307523e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.5908947 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.548894315494439e-19 } }