{ "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" [ 5.18551 0 0 ] "si-unit" "m" "si-value" [ 5.18551e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.238045 5.44258 0 ] "si-unit" "m" "si-value" [ 2.38045e-11 5.44258e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0219846 -0.0831786 5.06218 ] "si-unit" "m" "si-value" [ 2.19846e-12 -8.31786e-12 5.06218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0772431 0.350103 0.202788 ] [ 1.30878 1.27698 1.65073 ] [ 0.0902711 2.6496 2.76502 ] [ 1.60148 3.65596 4.18013 ] [ 2.76894 -0.178197 3.21948 ] [ 3.70957 1.45836 3.94737 ] [ 2.83791 2.83658 -0.151442 ] [ 4.06532 3.74454 1.70854 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.72431e-12 3.50103e-11 2.02788e-11 ] [ 1.30878e-10 1.27698e-10 1.65073e-10 ] [ 9.02711e-12 2.6496e-10 2.76502e-10 ] [ 1.60148e-10 3.65596e-10 4.18013e-10 ] [ 2.76894e-10 -1.78197e-11 3.21948e-10 ] [ 3.70957e-10 1.45836e-10 3.94737e-10 ] [ 2.83791e-10 2.83658e-10 -1.51442e-11 ] [ 4.06532e-10 3.74454e-10 1.70854e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3787458 -14.0561193 -0.8545013 ] [ 7.1827785 -6.3136611 -4.3425381 ] [ 4.0803427 -1.1268691 4.8066816 ] [ -23.453038 19.6267423 -6.1544229 ] [ -6.3432847 -8.6372504 -7.7304708 ] [ 14.6262481 -5.6656599 -5.5106587 ] [ 11.7304323 4.9823437 29.5797954 ] [ -6.4447329 11.1904738 -9.7938853 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.208994304985637e-09 -2.252038590717644e-08 -1.369062016582624e-09 ] [ 1.150807987989757e-08 -1.011560028941474e-08 -6.957513076074753e-09 ] [ 6.537429732652471e-09 -1.805443341596609e-09 7.701152946597734e-09 ] [ -3.757590947991408e-08 3.144550791459942e-08 -9.860472566134518e-09 ] [ -1.01630625291497e-08 -1.383840077288715e-08 -1.238557968557929e-08 ] [ 2.343383294890689e-08 -9.077387907970776e-09 -8.829048607088815e-09 ] [ 1.879422453777888e-08 7.982594658697104e-09 4.739205702838068e-08 ] [ -1.032560046475106e-08 1.792911564574919e-08 -1.569153418373608e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -10.71743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.717121592253062e-18 } }