{ "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" [ [ 0.4207353 0.1763373 0.6148168 ] [ -1.5605338 0.278096 1.2562847 ] [ 0.9306709 -2.5198542 0.2685733 ] [ -0.26313 0.4688109 0.0528835 ] [ -0.8846341 0.6607241 0.5534611 ] [ -0.2649282 0.9689285 1.0419812 ] [ 2.0161617 0.3153937 -1.610321 ] [ -0.3943418 -0.3484363 -2.1776795 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.740922667589802e-10 2.825235017626482e-10 9.850451111506512e-10 ] [ -2.500250790927229e-09 4.455589132088639e-10 2.012789991991699e-09 ] [ 1.49109916992375e-09 -4.037251520326762e-09 4.303018657762722e-10 ] [ -4.215807377044199e-10 7.511178697445105e-10 8.4728708024139e-11 ] [ -1.417340084659619e-09 1.058596714540679e-09 8.867424422479373e-10 ] [ -4.244617717276788e-10 1.552394602716669e-09 1.669437931707281e-09 ] [ 3.230247166105718e-09 5.053164166508057e-10 -2.580018679439513e-09 ] [ -6.318052177695012e-10 -5.582564982974142e-10 -3.489027211240802e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.151092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.792043489598432e-18 } }