{ "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" [ [ 0.0503565 -0.2078169 2.5743183 ] [ -0.2069582 1.4153155 -2.2446674 ] [ -0.7180034 -0.0735733 -0.6588431 ] [ 1.0685799 -0.1496171 0.7511523 ] [ 1.5387813 -1.1977027 0.1228526 ] [ -0.6493715 1.4302802 -0.6731476 ] [ -1.8853997 -2.414522 -0.985665 ] [ 0.802015 1.1976362 1.1139999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.068000767002098e-11 -3.329593813303146e-10 4.124512628738602e-09 ] [ -3.315835922546987e-10 2.267585423838027e-09 -3.596353659381531e-09 ] [ -1.150368270612555e-09 -1.178774221462722e-10 -1.055583020292125e-09 ] [ 1.712053747342057e-09 -2.397130216668414e-10 1.203478663635358e-09 ] [ 2.465399443696144e-09 -1.918931280418712e-09 1.968315651461484e-10 ] [ -1.040407844085531e-09 2.291561516512846e-09 -1.078501355953178e-09 ] [ -3.02074334509061e-09 -3.868490730678947e-09 -1.57920943195161e-09 ] [ 1.28496969311751e-09 1.918824735672551e-09 1.784824610058337e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.400764 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.832045354054837e-18 } }