{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7999483 -2.8815661 -3.1035756 ] [ -1.9605911 -2.0932731 9.2273228 ] [ 0.9718103 -0.5196377 1.9995698 ] [ -14.7172047 -20.9020171 13.4741594 ] [ 11.4204332 17.7711219 -15.6302537 ] [ 1.330495 2.519613 0.8549614 ] [ 6.7863785 6.7324443 -4.6831038 ] [ -1.0313731 -0.6266852 -2.1390803 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.486011742668022e-09 -4.616777874746507e-09 -4.97247630817253e-09 ] [ -3.141213249248357e-09 -3.353793249400745e-09 1.478380098453545e-08 ] [ 1.55701175534053e-09 -8.325513810855017e-10 3.203664011612053e-09 ] [ -2.357956148813498e-08 -3.348872340108843e-08 2.158798335347146e-08 ] [ 1.829755122319785e-08 2.847247626814568e-08 -2.504242726163205e-08 ] [ 2.13168800065383e-09 4.036865075322642e-09 1.369799178051927e-09 ] [ 1.087297706217997e-08 1.078656494716648e-08 -7.503159482956608e-09 ] [ -1.652441881756145e-09 -1.004060384313617e-09 -3.427184474909709e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -24.420992 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.912674276150093e-18 } }