{ "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" [ [ -3.5781588 -5.7376833 -3.997539 ] [ 7.6015348 0.8136245 0.9793782 ] [ 6.0036756 -4.056487 8.0524566 ] [ -27.7269151 22.7558098 -13.3910865 ] [ -4.3414323 -4.1304115 -5.2204608 ] [ 13.8354683 -10.6278962 -6.7361397 ] [ 15.8708828 -7.255598 29.3809906 ] [ -7.6650554 8.2386415 -9.0675994 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.732842374869784e-09 -9.192782040814592e-09 -6.404763526536211e-09 ] [ 1.21790013387576e-08 1.30357015201009e-09 1.569136854961187e-09 ] [ 9.618948685187414e-09 -6.49920863397913e-09 1.290145770452666e-08 ] [ -4.44234151401265e-08 3.645882644893153e-08 -2.14548857174105e-08 ] [ -6.955741331845972e-09 -6.61764873958346e-09 -8.364100243562865e-09 ] [ 2.216686384807952e-08 -1.702776681992916e-08 -1.079248554178273e-08 ] [ 2.542795737361684e-08 -1.162474948552324e-08 4.707353623526457e-08 ] [ -1.228077255901679e-08 1.319975879845264e-08 -1.452789576546011e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.684826 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.314074462251598e-18 } }