{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2251534 -0.4298033 3.2765103 ] [ -0.5062121 1.8891304 -2.3269887 ] [ -0.6958829 -0.1128085 -0.7685303 ] [ 1.2547239 0.2213359 0.9353024 ] [ 1.8188711 -1.5287419 0.4953957 ] [ -0.3681892 1.8324875 -1.2048546 ] [ -2.2490833 -3.1370263 -1.6726128 ] [ 0.9709258 1.2654262 1.2657781 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.607355135736308e-10 -6.886207988026886e-10 5.249548200470394e-09 ] [ -8.110411917860717e-10 3.026720560522552e-09 -3.728246892005785e-09 ] [ -1.114927313194504e-09 -1.807391413275168e-10 -1.23132127903641e-09 ] [ 2.010289298138997e-09 3.546192043237267e-10 1.49851963865813e-09 ] [ 2.914152752668779e-09 -2.449314531417372e-09 7.937114085848505e-10 ] [ -5.899041282710554e-10 2.93596863040824e-09 -1.930389871583336e-09 ] [ -3.603428681491713e-09 -5.026070196694727e-09 -2.679821123810826e-09 ] [ 1.555594617291537e-09 2.027436272987785e-09 2.028000078940644e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.68433 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.396824601331207e-18 } }