{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.5152292 -10.1527548 -3.4200298 ] [ 3.2480107 -0.2107495 11.6775713 ] [ -0.3137061 -3.2435311 -1.2082113 ] [ -7.9107754 -16.8625732 8.4526327 ] [ 3.8321565 11.9613026 -13.8966931 ] [ 4.7873545 9.3529395 3.8614242 ] [ 6.4328707 10.1067615 -3.2620011 ] [ -3.5606818 -0.9513951 -2.2046927 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.043854798939451e-08 -1.626650651129134e-08 -5.479491833143692e-09 ] [ 5.203886850521983e-09 -3.37657924527183e-10 1.8709531878729e-08 ] [ -5.026125833632674e-10 -5.196709740072317e-09 -1.935767913794764e-09 ] [ -1.2674459502702e-08 -2.70168207701546e-08 1.354261060772433e-08 ] [ 6.139791602131221e-09 1.916411953792344e-08 -2.226495697468902e-08 ] [ 7.670187518574753e-09 1.498506112611564e-08 6.186683627202142e-09 ] [ 1.030659512508322e-08 1.619281712071079e-08 -5.226301942502297e-09 ] [ -5.70484118106906e-09 -1.524302998922093e-09 -3.532307129090371e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -313.37553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.02082951833366e-17 } }