{ "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" [ [ -10.0901176 -20.997368 -13.4416077 ] [ 20.9971204 7.1835539 5.080584 ] [ 26.4642042 -20.5899699 34.3695726 ] [ -100.6510573 88.3546259 -70.5706384 ] [ -24.2804126 -24.2463042 -15.3179671 ] [ 42.3390576 -12.7236624 -19.0715563 ] [ 73.6180733 -46.287079 110.6543509 ] [ -28.3968681 29.3062036 -31.7027379 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.616615065303216e-08 -3.364149238509931e-08 -2.153582978033448e-08 ] [ 3.364109568616473e-08 1.150932220765957e-08 8.139992971874254e-09 ] [ 4.240032960664466e-08 -3.298876866854332e-08 5.506612614028661e-08 ] [ -1.612607721934551e-07 1.415597171227912e-07 -1.130666278909431e-07 ] [ -3.890150973159918e-08 -3.884686205009606e-08 -2.454208896800074e-08 ] [ 6.78346487923001e-08 -2.038555459618436e-08 -3.055600187787549e-08 ] [ 1.179491568813593e-07 -7.416007642991207e-08 1.772878154624168e-07 ] [ -4.549679854859997e-08 4.695371463916667e-08 -5.079338589720622e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 11.911031 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.908357555504965e-18 } }