{ "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" [ 5.44976 0 0 ] "si-unit" "m" "si-value" [ 5.449760000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0355309 5.38277 0 ] "si-unit" "m" "si-value" [ -3.55309e-12 5.38277e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.05055 0.148675 5.46244 ] "si-unit" "m" "si-value" [ 5.055e-12 1.48675e-11 5.46244e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0326933 -0.0289977 0.141129 ] [ 1.38935 1.3881 1.19735 ] [ 0.0127821 2.83796 2.59214 ] [ 1.40644 4.238 3.96398 ] [ 2.76811 0.0511022 2.83036 ] [ 4.1335 1.52222 4.23862 ] [ 2.69114 2.71897 0.000278438 ] [ 4.17588 4.12802 1.32379 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.26933e-12 -2.89977e-12 1.41129e-11 ] [ 1.38935e-10 1.3881e-10 1.19735e-10 ] [ 1.27821e-12 2.83796e-10 2.59214e-10 ] [ 1.40644e-10 4.238000000000001e-10 3.96398e-10 ] [ 2.76811e-10 5.11022e-12 2.830360000000001e-10 ] [ 4.1335e-10 1.52222e-10 4.23862e-10 ] [ 2.69114e-10 2.71897e-10 2.78438e-14 ] [ 4.17588e-10 4.12802e-10 1.32379e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7132102 0.8379079 -3.639399 ] [ 0.095458 0.0164307 3.3479852 ] [ 0.981365 -1.5457679 1.8335837 ] [ -1.7135129 -1.7831381 2.2629811 ] [ 1.7451349 2.1295627 -2.297767 ] [ 0.6294372 -0.651318 -1.7769202 ] [ 0.7080525 1.6384332 -0.730006 ] [ -3.1591448 -0.6421105 0.9995422 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.142688708156092e-09 1.342476447763625e-09 -5.8309599915629e-09 ] [ 1.529405758683264e-10 2.632488340337856e-11 5.364063614224413e-09 ] [ 1.572320059471392e-09 -2.476593190563112e-09 2.937724936419961e-09 ] [ -2.745350307819208e-09 -2.856902175477732e-09 3.625695411732267e-09 ] [ 2.796014336922146e-09 3.411935570467725e-09 -3.681428567445753e-09 ] [ 1.008469566101814e-09 -1.043526472306214e-09 -2.84694000146726e-09 ] [ 1.134425161798992e-09 2.625059367782531e-09 -1.169598546243725e-09 ] [ -5.061507940281892e-09 -1.028774431070198e-09 1.601443144342998e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.480215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.684557097395748e-18 } }