{ "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" [ 5.48581 0 0 ] "si-unit" "m" "si-value" [ 5.48581e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00228581 5.44331 0 ] "si-unit" "m" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0206328 -0.0957916 5.42731 ] "si-unit" "m" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5890916 0.744836 -0.2617976 ] [ -0.5837247 1.3310746 -1.4934832 ] [ 0.1752866 0.0048364 1.0312321 ] [ 0.1305658 -0.6548599 -0.6633801 ] [ 1.0090611 0.8208107 3.8182774 ] [ -1.8391043 0.3551672 -1.044258 ] [ -0.6072325 -1.1832711 -1.3019223 ] [ 1.1260564 -1.418594 -0.0846683 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.438287890296655e-10 1.193358825530189e-09 -4.194459941015501e-10 ] [ -9.352300673234937e-10 2.132616604660712e-09 -2.39282386659757e-09 ] [ 2.808400924595213e-10 7.748767008837121e-12 1.652215961238488e-09 ] [ 2.091894722360487e-10 -1.049201221679426e-09 -1.062852086923966e-09 ] [ 1.616694103378731e-09 1.315083713642483e-09 6.11755478200901e-09 ] [ -2.946569912672749e-09 5.690405843149977e-10 -1.673085753683366e-09 ] [ -9.72893714889936e-10 -1.895809292488299e-09 -2.085909471158164e-09 ] [ 1.804141237782213e-09 -2.272838141207155e-09 -1.356535707828806e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.297559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.815510042190863e-18 } }