{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0159891 -1.6316703 -5.3273933 ] [ -0.3230667 1.9322767 0.4853061 ] [ 0.1605611 0.7918176 1.6119839 ] [ 0.2821274 -1.0938129 2.2686402 ] [ -2.3363595 -0.227583 2.3617735 ] [ 0.2262721 1.4719149 0.5047573 ] [ 0.9931994 2.6012911 -2.4198748 ] [ -0.0187228 -3.8442343 0.5148071 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.627793996418689e-09 -2.61422402905177e-09 -8.53542506538815e-09 ] [ -5.176099179634877e-10 3.095848579162628e-09 7.775460937576674e-10 ] [ 2.572472427493374e-10 1.268631657109958e-09 2.582682938964192e-09 ] [ 4.520179280911715e-10 -1.752481470347778e-09 3.634762319393086e-09 ] [ -3.743260599523922e-09 -3.64628164895622e-10 3.783978316500399e-09 ] [ 3.625278715461114e-10 2.358267660016447e-09 8.08710351900928e-10 ] [ 1.591280871582819e-09 4.167727818652157e-09 -3.877066861765423e-09 ] [ -2.99972326830552e-11 -6.159142371081345e-09 8.248119066373013e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -323.0196 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.175344554440264e-17 } }