{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6433692 0.8543538 0.36592089999999994 ] [ -0.8505964 -0.1018953 -1.1044356999999998 ] [ -0.9605318 0.6402949 0.36304529999999996 ] [ 0.4804788 -0.1396476 -0.4022753999999999 ] [ 0.5273941 -1.0506937 0.8436719999999998 ] [ 0.3805511 0.2172093 1.4607938999999999 ] [ -0.6946063 -1.0330439 -1.5559029999999996 ] [ 1.7606797 0.6134225 0.029181899999999993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.030791090782799e-09 1.368825684251639e-09 5.862699110420945e-10 ] [ -1.362805665816645e-09 -1.632542674294022e-10 -1.769501057716882e-09 ] [ -1.538941593494942e-09 1.025865519197474e-09 5.816626919513222e-10 ] [ 7.69811900150039e-10 -2.237401198708301e-10 -6.445162410029681e-10 ] [ 8.449784969678572e-10 -1.683396881761849e-09 1.351711554023577e-09 ] [ 6.097100754397228e-10 3.480076622803335e-10 2.340449834387253e-09 ] [ -1.112881974520391e-09 -1.655118784840053e-09 -2.492831410832582e-09 ] [ 2.820919852057158e-09 9.828111881726879e-10 4.675455793052351e-11 ] ] } "unrelaxed-potential-energy" { "source-value" 144.54142 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.315808838612335e-17 } }