{ "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" [ [ 0.585537 -0.1430224 -2.6709543 ] [ 0.431833 0.4555664 1.5207724 ] [ -0.3534994 0.6625465 0.3382422 ] [ -0.0428318 -0.5866144 0.8145742 ] [ -0.8595077 0.2441522 1.2178459 ] [ 0.5846269 0.5126998 0.6487246 ] [ -0.3427568 1.6147235 -1.837987 ] [ -0.0034012 -2.7600516 -0.0312181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.381336920133697e-10 -2.291471455307059e-10 -4.27934053468523e-09 ] [ 6.918727366899265e-10 7.298978353020211e-10 2.436545984837906e-09 ] [ -5.663684741468276e-10 1.061516512492867e-09 5.419237450079577e-10 ] [ -6.862410858678145e-11 -9.398598771046195e-10 1.305091739146863e-09 ] [ -1.37708314233758e-09 3.911749467568858e-10 1.951204228717135e-09 ] [ 9.366755510707795e-10 8.214356330488359e-10 1.039371387457832e-09 ] [ -5.491569315802214e-10 2.587072240756349e-09 -2.94477980073433e-09 ] [ -5.44932312266496e-12 -4.422090145721633e-09 -5.001690996579648e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -26.342926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.220602016066446e-18 } }