{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4079977 0.9510939 0.2558107 ] [ -0.9128423 -0.0206189 -1.2792409 ] [ 1.3741734 1.2741401 -1.1427057 ] [ -0.6171429 -1.0651481 1.3250936 ] [ -0.1181915 1.4023197 0.9263513 ] [ -0.1990979 -1.9958443 1.0353015 ] [ -1.2311157 0.1277766 -0.6052949 ] [ 1.2962192 -0.6737188 -0.5153157 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.536843762801721e-10 1.523820410765493e-09 4.098539228904825e-10 ] [ -1.4625345915373e-09 -3.303511952661312e-11 -2.049569862351151e-09 ] [ 2.201668494405247e-09 2.041397479843774e-09 -1.830816356994899e-09 ] [ -9.887719260727123e-10 -1.706555383509541e-09 2.123033986291707e-09 ] [ -1.893636580772832e-10 2.24676383822727e-09 1.484178395507687e-09 ] [ -3.189900006303763e-10 -3.197695076216941e-09 1.658735858779171e-09 ] [ -1.972464792039827e-09 2.047206812053133e-10 -9.69789337469474e-10 ] [ 2.076772097672079e-09 -1.079416510353431e-09 -8.256267668711867e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.395016 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.831124374884193e-18 } }