{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.48581e-10 0.0 0.0 ] "source-value" [ 5.48581 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] "source-value" [ 0.00228581 5.44331 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] "source-value" [ -0.0206328 -0.0957916 5.42731 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.361411691481664e-11 6.845956504782529e-11 -1.869494983450618e-10 ] [ -5.24897093623392e-11 3.641741050371917e-10 -1.36495354379449e-10 ] [ -1.015264076715302e-10 -5.5899942299712e-12 1.623689046287482e-10 ] [ 1.765449633695866e-10 -1.599127678690618e-10 -4.539527128543681e-11 ] [ 2.770852313310144e-11 1.602184631683104e-10 6.155335068033447e-10 ] [ -2.396939537901082e-10 5.551317686345088e-11 -1.723966076630112e-10 ] [ -1.108175901132115e-10 -3.282185379661843e-10 -3.480930582942221e-10 ] [ 2.466602177373466e-10 -1.546441702692231e-10 1.114272183174259e-10 ] ] "source-value" [ [ 0.0334633 0.0427291 -0.1166847 ] [ -0.0327615 0.2272996 -0.0851937 ] [ -0.0633678 -0.003489 0.1013427 ] [ 0.1101907 -0.0998097 -0.0283335 ] [ 0.0172943 0.1000005 0.3841858 ] [ -0.1496052 0.0346486 -0.1076015 ] [ -0.0691669 -0.2048579 -0.2172626 ] [ 0.1539532 -0.0965213 0.0695474 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 4.820206202252811e-18 "source-value" 30.085361 } }