{ "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" [ 5.46308 0 0 ] "si-unit" "m" "si-value" [ 5.46308e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0404011 5.38219 0 ] "si-unit" "m" "si-value" [ -4.04011e-12 5.38219e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0107061 -0.144189 5.56456 ] "si-unit" "m" "si-value" [ 1.07061e-12 -1.44189e-11 5.56456e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0957934 0.00987827 -0.0909378 ] [ 1.38627 1.24986 1.3117 ] [ -0.0751597 2.80438 2.76133 ] [ 1.36904 3.93592 4.18176 ] [ 2.71956 -0.067532 2.7564 ] [ 4.08015 1.26891 4.08099 ] [ 2.56948 2.74723 0.13466 ] [ 4.07358 4.09238 1.48906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.579340000000001e-12 9.87827e-13 -9.09378e-12 ] [ 1.38627e-10 1.24986e-10 1.3117e-10 ] [ -7.51597e-12 2.80438e-10 2.76133e-10 ] [ 1.36904e-10 3.93592e-10 4.18176e-10 ] [ 2.71956e-10 -6.7532e-12 2.7564e-10 ] [ 4.08015e-10 1.26891e-10 4.08099e-10 ] [ 2.56948e-10 2.74723e-10 1.3466e-11 ] [ 4.07358e-10 4.092380000000001e-10 1.48906e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.526296 0.1890394 0.3496698 ] [ -1.4738596 0.2784634 1.003123 ] [ 0.9354084 -2.1663776 0.4338429 ] [ -0.4604189 0.4370507 0.1259332 ] [ -0.574011 0.5611394 0.5113692 ] [ -0.2919354 0.7195918 0.8747847 ] [ 1.76474 0.1349807 -1.4617862 ] [ -0.4262194 -0.1538879 -1.8369365 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.432191537676638e-10 3.028745095853795e-10 5.602327831754531e-10 ] [ -2.361383412916586e-09 4.461475529041956e-10 1.607180231627982e-09 ] [ 1.498689481727325e-09 -3.470919571140998e-09 6.950929572067984e-10 ] [ -7.376724034319826e-10 7.002324194133438e-10 2.017672304848488e-10 ] [ -9.196670118589741e-10 8.990444350967794e-10 8.193037835872727e-10 ] [ -4.677320765174436e-10 1.152913167978001e-09 1.4015596061207e-09 ] [ 2.827425193085159e-09 2.162629235809638e-10 -2.34203969354365e-09 ] [ -6.828787636374995e-10 -2.465555976353286e-10 -2.94309673844174e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.284198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.813369421902953e-18 } }