{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "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" [ [ -6.883152637211021e-10 8.452308397856333e-10 3.032537743397353e-09 ] [ -2.779751122697391e-09 -1.173455786458301e-09 7.029956876621683e-10 ] [ -6.466112471523264e-11 -6.981878760584717e-10 -1.032489398000847e-09 ] [ 1.972308259383974e-09 3.393326769670119e-10 -2.217745695924327e-10 ] [ -2.763619927826191e-09 -9.436727370267993e-10 7.27652544985632e-11 ] [ 2.395671895758705e-09 -5.434544645514701e-10 4.840572911238759e-10 ] [ -5.69003093382071e-10 8.827616669102111e-10 -2.43550024415751e-09 ] [ 2.497370537416971e-09 1.291445680432186e-09 -6.025919251488327e-10 ] ] "source-value" [ [ -0.4296126000000001 0.5275516000000001 1.8927612000000005 ] [ -1.7349842000000004 -0.7324135000000002 0.4387754000000001 ] [ -0.04035830000000001 -0.4357746000000001 -0.6444292000000001 ] [ 1.2310180000000002 0.21179480000000006 -0.13842080000000004 ] [ -1.7249159000000005 -0.5889942000000001 0.045416500000000005 ] [ 1.4952608000000003 -0.33919760000000004 0.3021248000000001 ] [ -0.35514380000000006 0.5509765000000001 -1.5201197000000004 ] [ 1.5587361000000004 0.8060570000000002 -0.3761083000000001 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.81955762098799e-18 "source-value" -36.322822 } }