{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.35419e-10 0.0 0.0 ] "source-value" [ 5.35419 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.28546e-11 5.3923e-10 0.0 ] "source-value" [ 0.128546 5.3923 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.52915e-12 -8.75116e-12 5.495879999999999e-10 ] "source-value" [ 0.0752915 -0.0875116 5.49588 ] } "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" [ [ -2.599263042446354e-09 5.699535045535297e-10 2.176938097174888e-09 ] [ -2.466238483280544e-10 -2.252173267152076e-10 2.251744204253026e-09 ] [ -2.758437046675564e-10 -2.851845706062487e-09 -5.758707433582992e-09 ] [ 5.418659544972455e-09 -1.352236427084552e-09 3.508387724563519e-09 ] [ -2.37628363603508e-09 6.312269870217428e-10 -5.309107033519027e-10 ] [ 3.444490838096408e-09 -1.788371974609651e-09 1.64176960945321e-10 ] [ -5.034540744271234e-09 2.085422569683103e-09 -3.897812453579843e-09 ] [ 1.669404752897079e-09 2.931068373213523e-09 2.086183603577983e-09 ] ] "source-value" [ [ -1.6223323999999995 0.3557369999999999 1.3587378999999995 ] [ -0.15393049999999994 -0.14056959999999993 1.4054281999999996 ] [ -0.17216809999999994 -1.7799820999999993 -3.5943024999999986 ] [ 3.382061299999999 -0.8439995999999996 2.189763399999999 ] [ -1.4831595999999996 0.3939808999999999 -0.3313683999999999 ] [ 2.1498820999999992 -1.1162139999999996 0.10247119999999997 ] [ -3.142313199999999 1.3016183999999995 -2.432823199999999 ] [ 1.0419604999999996 1.8294289999999993 1.3020933999999995 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.25511e-13 1.60353e-12 -6.7451e-12 ] [ 1.37153e-10 1.32836e-10 1.3623e-10 ] [ 3.05896e-12 2.71279e-10 2.89841e-10 ] [ 1.38735e-10 4.027860000000001e-10 4.05412e-10 ] [ 2.7178e-10 -6.21827e-12 2.7228e-10 ] [ 3.99586e-10 1.31169e-10 4.14487e-10 ] [ 2.78113e-10 2.65016e-10 1.1239e-11 ] [ 4.13075e-10 3.95144e-10 1.3393e-10 ] ] "source-value" [ [ 0.00225511 0.0160353 -0.067451 ] [ 1.37153 1.32836 1.3623 ] [ 0.0305896 2.71279 2.89841 ] [ 1.38735 4.02786 4.05412 ] [ 2.7178 -0.0621827 2.7228 ] [ 3.99586 1.31169 4.14487 ] [ 2.78113 2.65016 0.11239 ] [ 4.13075 3.95144 1.3393 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.737068275924805e-18 "source-value" -35.807964 } }