{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.54692e-10 0.0 0.0 ] "source-value" [ 5.54692 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] "source-value" [ 0.123956 5.52099 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] "source-value" [ 0.202669 -0.109883 5.46638 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -4.155473055777939e-09 5.718059411624986e-10 -8.645537307031295e-10 ] [ 6.083437392175046e-10 -1.009678889015194e-10 4.376295131369307e-09 ] [ -9.148338782877236e-10 7.207143191292577e-10 -8.686990422741255e-10 ] [ -4.387672828424256e-11 -2.327089764199388e-09 -3.664220389450051e-09 ] [ -4.040721961843002e-09 1.025496057268717e-09 9.855696556607194e-10 ] [ 8.044118014951227e-09 -2.543277704132754e-09 -2.162024716753158e-09 ] [ -2.823068531123313e-09 5.379601683310593e-09 3.061393424990947e-09 ] [ 3.325512401147489e-09 -2.726282483419743e-09 -8.637604930581715e-10 ] ] "source-value" [ [ -2.5936423 0.3568932 -0.539612 ] [ 0.3796983 -0.0630192 2.7314686 ] [ -0.5709944 0.4498345 -0.5421993 ] [ -0.0273857 -1.4524552 -2.2870265 ] [ -2.5220203 0.6400643 0.6151442 ] [ 5.0207436 -1.5873891 -1.3494297 ] [ -1.7620208 3.3576833 1.9107715 ] [ 2.0756216 -1.7016117 -0.5391169 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.66232481395254e-18 "source-value" -35.341452 } }