{ "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" [ [ 1.0242454999999997 1.7973006999999996 -0.9310038999999998 ] [ 0.35849689999999995 -0.6800679999999999 -0.49886009999999986 ] [ -0.6900385999999998 1.7022330999999995 0.22112959999999995 ] [ -0.38945439999999987 -1.0071570999999997 0.28649499999999994 ] [ -0.5493143999999999 0.10705569999999998 0.004804499999999999 ] [ 1.0093197999999999 -1.0231885999999997 0.23916739999999995 ] [ -1.7042032999999996 0.19384039999999994 -1.0288077999999998 ] [ 0.9409483999999998 -1.0900161999999998 1.7070752999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.641022207579646e-09 2.879593185811843e-09 -1.491632694742872e-09 ] [ 5.743753565414344e-10 -1.089589059131112e-09 -7.992619958549031e-10 ] [ -1.105563721478072e-09 2.727278098441384e-09 3.542886782057663e-10 ] [ -6.239747396884894e-10 -1.613643572387201e-09 4.590155947578299e-10 ] [ -8.800986963997294e-10 1.715221410765137e-10 7.697657638052996e-12 ] [ 1.617108599793553e-09 -1.639328867095172e-09 3.831884198945315e-10 ] [ -2.730434706845692e-09 3.105665596052135e-10 -1.648331818036945e-09 ] [ 1.507565540279685e-09 -1.74639848632147e-09 2.735036158138539e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.369654 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.827060982546463e-18 } }