{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.29291920000000005 1.0107531000000003 -0.5190415000000002 ] [ 0.7461518000000001 -1.0078586000000003 -0.7644015000000002 ] [ -0.6997172000000002 -0.10675020000000003 0.7335358000000001 ] [ 0.4024520000000001 -1.2797450000000001 1.8114952000000004 ] [ 0.24377870000000004 0.8225448000000002 -0.5148309000000001 ] [ 1.5210586000000004 -0.5062287000000001 0.06341860000000002 ] [ -0.6032291000000001 1.8373047000000005 0.5243121000000001 ] [ -1.3175755000000002 -0.7700202000000003 -1.3344878000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.693082978899729e-10 1.619404999563066e-09 -8.315961633763111e-10 ] [ 1.195466979377041e-09 -1.614767499295953e-09 -1.224706222294551e-09 ] [ -1.121070548247905e-09 -1.710326761148268e-10 1.175253918962497e-09 ] [ 6.447991907065681e-10 -2.05037753647833e-09 2.902335282043157e-09 ] [ 3.905765370068959e-10 1.317862058978203e-09 -8.248500384411906e-10 ] [ 2.437004547864753e-09 -8.110677946001959e-10 1.016077990809924e-10 ] [ -9.664795689688494e-10 2.94368665987838e-09 8.400405955434714e-10 ] [ -2.110988679630867e-09 -1.233708372148007e-09 -2.138085171518065e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.6174386015624762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.892457003530352e-20 } }