{ "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" [ [ -2.2920865 -4.917881 0.1024427 ] [ 4.1030022 0.9136922 -0.7633398 ] [ 3.5657557 -5.0181787 3.1541815 ] [ -15.9502924 14.3200977 -6.7056988 ] [ -5.2612624 -2.3467056 -6.1428009 ] [ 12.4962156 -5.7474217 -3.0753449 ] [ 4.6767733 -5.5828465 19.899525 ] [ -1.3381055 8.3792436 -6.4689648 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.672327403151299e-09 -7.879313962076525e-09 1.641312989116281e-10 ] [ 6.573734199930965e-09 1.463896281447318e-09 -1.223005181286148e-09 ] [ 5.712970418024338e-09 -8.040008592136537e-09 5.053555857059876e-09 ] [ -2.555518557820392e-08 2.294332574251185e-08 -1.074371384348662e-08 ] [ -8.429471613174097e-09 -3.759836848220436e-09 -9.841851988209198e-09 ] [ 2.002114448279624e-08 -9.208384677618593e-09 -4.927245699676514e-09 ] [ 7.493016842041665e-09 -8.944706139815107e-09 3.188255372002512e-08 ] [ -2.143881348263895e-09 1.342502819590803e-08 -1.036442416333815e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -19.883946 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.185759341044968e-18 } }