{ "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" [ [ -2.3364469 -2.3749628 -3.7143441 ] [ -2.6358962 -1.8377814 10.3547622 ] [ 1.7269649 -1.7030979 3.1074464 ] [ -15.6472856 -19.3187021 12.669297 ] [ 10.881744 17.2165455 -16.2111143 ] [ 1.0919175 2.7300099 0.9382963 ] [ 8.9067318 4.8877749 -4.832517 ] [ -1.9877294 0.400214 -2.3118265 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.743400598920635e-09 -3.805109873429706e-09 -5.951035278626418e-09 ] [ -4.22317126649556e-09 -2.944450393221093e-09 1.659015791078357e-08 ] [ 2.76690278772221e-09 -2.728663638313576e-09 4.978677972469125e-09 ] [ -2.50697151673005e-08 -3.095197284881986e-08 2.029845145537158e-08 ] [ 1.743447583033067e-08 2.758394669103944e-08 -2.597306832857656e-08 ] [ 1.749444690342384e-09 4.373958036332547e-09 1.503316395243143e-09 ] [ 1.42701574576959e-08 7.831078672513057e-09 -7.742545757018555e-09 ] [ -3.184693573156812e-09 6.412135141168513e-10 -3.703954369645891e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.665915 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.631479910204003e-18 } }