{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2423991 1.9470948 -0.8786933 ] [ 1.0993569 -1.4837313 -0.7421355 ] [ 2.5974272 -0.3302007 0.9298477 ] [ 0.0388027 -0.6804978 1.2025778 ] [ -0.0566925 1.0257638 -1.307108 ] [ -1.2700377 -1.4008083 2.1268365 ] [ -0.8233839 -0.5047696 -0.389053 ] [ -2.8278719 1.4271493 -0.9422722 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.990542791722962e-09 3.119589767041252e-09 -1.407821862113601e-09 ] [ 1.761363923095164e-09 -2.377199600409191e-09 -1.189032147565718e-09 ] [ 4.161537134070005e-09 -5.290398417117946e-10 1.489780245844652e-09 ] [ 6.216877876391617e-11 -1.090277665665834e-09 1.926742035853098e-09 ] [ -9.0831398074704e-11 1.643454778822967e-09 -2.094217878460647e-09 ] [ -2.034824710474604e-09 -2.244342308482593e-09 3.4075677165641e-09 ] [ -1.319206434523125e-09 -8.087300520105677e-10 -6.233316208521025e-10 ] [ -4.530750244797275e-09 2.286545242851085e-09 -1.509686489269782e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.851905038775914 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.699972826906849e-18 } }